Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:30:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxAsO3x2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 2050 892 138 Max 53 31 9 2057 915 145 Sum 1891 1099 313 73901 32511 5137 bravais-lattice index = 14 lattice parameter (alat) = 9.1803 a.u. unit-cell volume = 748.3796 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.180289 celldm(2)= 1.000000 celldm(3)= 1.116921 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.116921 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.895319 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Sr 10.00 87.62000 Sr( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032895 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032895 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032895 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032895 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032895 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032895 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032895 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032895 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032895 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032895 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032895 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032895 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032895 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032895 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032895 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032895 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032895 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032895 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032895 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032895 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032895 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032895 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032895 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032895 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032895 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032895 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032895 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032895 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032895 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032895 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032895 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032895 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032895 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032895 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032895 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032895 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032895 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032895 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0032895 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0032895 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0032895 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0032895 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0032895 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0032895 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0032895 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0032895 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0032895 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032895 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0032895 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0032895 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0032895 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0032895 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0032895 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0032895 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0032895 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0032895 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0032895 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0032895 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032895 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0032895 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0032895 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0032895 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0032895 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0032895 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0032895 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0032895 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0032895 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0032895 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0032895 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032895 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0032895 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0032895 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0032895 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0032895 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0032895 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0032895 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0032895 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0032895 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0032895 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.0154365), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.0308731), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.0463096), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.0617461), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.0771827), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.0926192), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.1080557), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.1234922), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.1389288), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.1543653), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.1698018), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.1852384), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.2006749), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.2161114), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.2315480), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.2469845), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.2624210), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.2778576), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.2932941), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.3087306), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.3241672), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.3396037), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.3550402), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.3704768), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.3859133), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.4013498), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.4167864), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.4322229), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.4476594), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.4476594), wk = 0.0032895 k( 139) = ( 0.0131579 0.0075967 0.4476594), wk = 0.0032895 k( 140) = ( 0.0263158 0.0151934 0.4476594), wk = 0.0032895 k( 141) = ( 0.0394737 0.0227901 0.4476594), wk = 0.0032895 k( 142) = ( 0.0526316 0.0303869 0.4476594), wk = 0.0032895 k( 143) = ( 0.0657895 0.0379836 0.4476594), wk = 0.0032895 k( 144) = ( 0.0789474 0.0455803 0.4476594), wk = 0.0032895 k( 145) = ( 0.0921053 0.0531770 0.4476594), wk = 0.0032895 k( 146) = ( 0.1052632 0.0607737 0.4476594), wk = 0.0032895 k( 147) = ( 0.1184210 0.0683704 0.4476594), wk = 0.0032895 k( 148) = ( 0.1315790 0.0759671 0.4476594), wk = 0.0032895 k( 149) = ( 0.1447368 0.0835639 0.4476594), wk = 0.0032895 k( 150) = ( 0.1578947 0.0911606 0.4476594), wk = 0.0032895 k( 151) = ( 0.1710526 0.0987573 0.4476594), wk = 0.0032895 k( 152) = ( 0.1842105 0.1063540 0.4476594), wk = 0.0032895 k( 153) = ( 0.1973684 0.1139507 0.4476594), wk = 0.0032895 k( 154) = ( 0.2105263 0.1215474 0.4476594), wk = 0.0032895 k( 155) = ( 0.2236842 0.1291441 0.4476594), wk = 0.0032895 k( 156) = ( 0.2368421 0.1367409 0.4476594), wk = 0.0032895 k( 157) = ( 0.2500000 0.1443376 0.4476594), wk = 0.0032895 k( 158) = ( 0.2631579 0.1519343 0.4476594), wk = 0.0032895 k( 159) = ( 0.2763158 0.1595310 0.4476594), wk = 0.0032895 k( 160) = ( 0.2894737 0.1671277 0.4476594), wk = 0.0032895 k( 161) = ( 0.3026316 0.1747244 0.4476594), wk = 0.0032895 k( 162) = ( 0.3157895 0.1823211 0.4476594), wk = 0.0032895 k( 163) = ( 0.3289474 0.1899179 0.4476594), wk = 0.0032895 k( 164) = ( 0.3421053 0.1975146 0.4476594), wk = 0.0032895 k( 165) = ( 0.3552632 0.2051113 0.4476594), wk = 0.0032895 k( 166) = ( 0.3684211 0.2127080 0.4476594), wk = 0.0032895 k( 167) = ( 0.3815789 0.2203047 0.4476594), wk = 0.0032895 k( 168) = ( 0.3947368 0.2279014 0.4476594), wk = 0.0032895 k( 169) = ( 0.4078947 0.2354981 0.4476594), wk = 0.0032895 k( 170) = ( 0.4210526 0.2430948 0.4476594), wk = 0.0032895 k( 171) = ( 0.4342105 0.2506916 0.4476594), wk = 0.0032895 k( 172) = ( 0.4473684 0.2582883 0.4476594), wk = 0.0032895 k( 173) = ( 0.4605263 0.2658850 0.4476594), wk = 0.0032895 k( 174) = ( 0.4736842 0.2734817 0.4476594), wk = 0.0032895 k( 175) = ( 0.4868421 0.2810784 0.4476594), wk = 0.0032895 k( 176) = ( 0.5000000 0.2886751 0.4476594), wk = 0.0032895 k( 177) = ( 0.5000000 0.2886751 0.4476594), wk = 0.0032895 k( 178) = ( 0.4924242 0.3017967 0.4476594), wk = 0.0032895 k( 179) = ( 0.4848485 0.3149183 0.4476594), wk = 0.0032895 k( 180) = ( 0.4772727 0.3280399 0.4476594), wk = 0.0032895 k( 181) = ( 0.4696970 0.3411615 0.4476594), wk = 0.0032895 k( 182) = ( 0.4621212 0.3542831 0.4476594), wk = 0.0032895 k( 183) = ( 0.4545455 0.3674047 0.4476594), wk = 0.0032895 k( 184) = ( 0.4469697 0.3805263 0.4476594), wk = 0.0032895 k( 185) = ( 0.4393939 0.3936479 0.4476594), wk = 0.0032895 k( 186) = ( 0.4318182 0.4067695 0.4476594), wk = 0.0032895 k( 187) = ( 0.4242424 0.4198911 0.4476594), wk = 0.0032895 k( 188) = ( 0.4166667 0.4330127 0.4476594), wk = 0.0032895 k( 189) = ( 0.4090909 0.4461343 0.4476594), wk = 0.0032895 k( 190) = ( 0.4015151 0.4592559 0.4476594), wk = 0.0032895 k( 191) = ( 0.3939394 0.4723775 0.4476594), wk = 0.0032895 k( 192) = ( 0.3863636 0.4854991 0.4476594), wk = 0.0032895 k( 193) = ( 0.3787879 0.4986207 0.4476594), wk = 0.0032895 k( 194) = ( 0.3712121 0.5117423 0.4476594), wk = 0.0032895 k( 195) = ( 0.3636364 0.5248639 0.4476594), wk = 0.0032895 k( 196) = ( 0.3560606 0.5379855 0.4476594), wk = 0.0032895 k( 197) = ( 0.3484849 0.5511071 0.4476594), wk = 0.0032895 k( 198) = ( 0.3409091 0.5642287 0.4476594), wk = 0.0032895 k( 199) = ( 0.3333333 0.5773503 0.4476594), wk = 0.0032895 k( 200) = ( 0.3333333 0.5773503 0.4476594), wk = 0.0032895 k( 201) = ( 0.3257576 0.5642287 0.4476594), wk = 0.0032895 k( 202) = ( 0.3181818 0.5511071 0.4476594), wk = 0.0032895 k( 203) = ( 0.3106061 0.5379855 0.4476594), wk = 0.0032895 k( 204) = ( 0.3030303 0.5248639 0.4476594), wk = 0.0032895 k( 205) = ( 0.2954545 0.5117423 0.4476594), wk = 0.0032895 k( 206) = ( 0.2878788 0.4986207 0.4476594), wk = 0.0032895 k( 207) = ( 0.2803030 0.4854991 0.4476594), wk = 0.0032895 k( 208) = ( 0.2727273 0.4723775 0.4476594), wk = 0.0032895 k( 209) = ( 0.2651515 0.4592559 0.4476594), wk = 0.0032895 k( 210) = ( 0.2575758 0.4461343 0.4476594), wk = 0.0032895 k( 211) = ( 0.2500000 0.4330127 0.4476594), wk = 0.0032895 k( 212) = ( 0.2424242 0.4198911 0.4476594), wk = 0.0032895 k( 213) = ( 0.2348485 0.4067695 0.4476594), wk = 0.0032895 k( 214) = ( 0.2272727 0.3936479 0.4476594), wk = 0.0032895 k( 215) = ( 0.2196970 0.3805263 0.4476594), wk = 0.0032895 k( 216) = ( 0.2121212 0.3674047 0.4476594), wk = 0.0032895 k( 217) = ( 0.2045454 0.3542831 0.4476594), wk = 0.0032895 k( 218) = ( 0.1969697 0.3411615 0.4476594), wk = 0.0032895 k( 219) = ( 0.1893939 0.3280399 0.4476594), wk = 0.0032895 k( 220) = ( 0.1818182 0.3149183 0.4476594), wk = 0.0032895 k( 221) = ( 0.1742424 0.3017967 0.4476594), wk = 0.0032895 k( 222) = ( 0.1666667 0.2886751 0.4476594), wk = 0.0032895 k( 223) = ( 0.1590909 0.2755535 0.4476594), wk = 0.0032895 k( 224) = ( 0.1515151 0.2624319 0.4476594), wk = 0.0032895 k( 225) = ( 0.1439394 0.2493103 0.4476594), wk = 0.0032895 k( 226) = ( 0.1363636 0.2361888 0.4476594), wk = 0.0032895 k( 227) = ( 0.1287879 0.2230672 0.4476594), wk = 0.0032895 k( 228) = ( 0.1212121 0.2099456 0.4476594), wk = 0.0032895 k( 229) = ( 0.1136364 0.1968239 0.4476594), wk = 0.0032895 k( 230) = ( 0.1060606 0.1837024 0.4476594), wk = 0.0032895 k( 231) = ( 0.0984848 0.1705808 0.4476594), wk = 0.0032895 k( 232) = ( 0.0909091 0.1574592 0.4476594), wk = 0.0032895 k( 233) = ( 0.0833333 0.1443376 0.4476594), wk = 0.0032895 k( 234) = ( 0.0757576 0.1312160 0.4476594), wk = 0.0032895 k( 235) = ( 0.0681818 0.1180944 0.4476594), wk = 0.0032895 k( 236) = ( 0.0606061 0.1049728 0.4476594), wk = 0.0032895 k( 237) = ( 0.0530303 0.0918512 0.4476594), wk = 0.0032895 k( 238) = ( 0.0454546 0.0787296 0.4476594), wk = 0.0032895 k( 239) = ( 0.0378788 0.0656080 0.4476594), wk = 0.0032895 k( 240) = ( 0.0303030 0.0524864 0.4476594), wk = 0.0032895 k( 241) = ( 0.0227273 0.0393648 0.4476594), wk = 0.0032895 k( 242) = ( 0.0151515 0.0262432 0.4476594), wk = 0.0032895 k( 243) = ( 0.0075758 0.0131216 0.4476594), wk = 0.0032895 k( 244) = ( 0.0000000 0.0000000 0.4476594), wk = 0.0032895 k( 245) = ( 0.5000000 0.2886751 0.4476594), wk = 0.0032895 k( 246) = ( 0.5000000 0.2886751 0.4322229), wk = 0.0032895 k( 247) = ( 0.5000000 0.2886751 0.4167864), wk = 0.0032895 k( 248) = ( 0.5000000 0.2886751 0.4013498), wk = 0.0032895 k( 249) = ( 0.5000000 0.2886751 0.3859133), wk = 0.0032895 k( 250) = ( 0.5000000 0.2886751 0.3704768), wk = 0.0032895 k( 251) = ( 0.5000000 0.2886751 0.3550402), wk = 0.0032895 k( 252) = ( 0.5000000 0.2886751 0.3396037), wk = 0.0032895 k( 253) = ( 0.5000000 0.2886751 0.3241672), wk = 0.0032895 k( 254) = ( 0.5000000 0.2886751 0.3087306), wk = 0.0032895 k( 255) = ( 0.5000000 0.2886751 0.2932941), wk = 0.0032895 k( 256) = ( 0.5000000 0.2886751 0.2778576), wk = 0.0032895 k( 257) = ( 0.5000000 0.2886751 0.2624210), wk = 0.0032895 k( 258) = ( 0.5000000 0.2886751 0.2469845), wk = 0.0032895 k( 259) = ( 0.5000000 0.2886751 0.2315480), wk = 0.0032895 k( 260) = ( 0.5000000 0.2886751 0.2161114), wk = 0.0032895 k( 261) = ( 0.5000000 0.2886751 0.2006749), wk = 0.0032895 k( 262) = ( 0.5000000 0.2886751 0.1852384), wk = 0.0032895 k( 263) = ( 0.5000000 0.2886751 0.1698018), wk = 0.0032895 k( 264) = ( 0.5000000 0.2886751 0.1543653), wk = 0.0032895 k( 265) = ( 0.5000000 0.2886751 0.1389288), wk = 0.0032895 k( 266) = ( 0.5000000 0.2886751 0.1234922), wk = 0.0032895 k( 267) = ( 0.5000000 0.2886751 0.1080557), wk = 0.0032895 k( 268) = ( 0.5000000 0.2886751 0.0926192), wk = 0.0032895 k( 269) = ( 0.5000000 0.2886751 0.0771827), wk = 0.0032895 k( 270) = ( 0.5000000 0.2886751 0.0617461), wk = 0.0032895 k( 271) = ( 0.5000000 0.2886751 0.0463096), wk = 0.0032895 k( 272) = ( 0.5000000 0.2886751 0.0308731), wk = 0.0032895 k( 273) = ( 0.5000000 0.2886751 0.0154365), wk = 0.0032895 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 276) = ( 0.3333333 0.5773503 0.0154365), wk = 0.0032895 k( 277) = ( 0.3333333 0.5773503 0.0308731), wk = 0.0032895 k( 278) = ( 0.3333333 0.5773503 0.0463096), wk = 0.0032895 k( 279) = ( 0.3333333 0.5773503 0.0617461), wk = 0.0032895 k( 280) = ( 0.3333333 0.5773503 0.0771827), wk = 0.0032895 k( 281) = ( 0.3333333 0.5773503 0.0926192), wk = 0.0032895 k( 282) = ( 0.3333333 0.5773503 0.1080557), wk = 0.0032895 k( 283) = ( 0.3333333 0.5773503 0.1234922), wk = 0.0032895 k( 284) = ( 0.3333333 0.5773503 0.1389288), wk = 0.0032895 k( 285) = ( 0.3333333 0.5773503 0.1543653), wk = 0.0032895 k( 286) = ( 0.3333333 0.5773503 0.1698018), wk = 0.0032895 k( 287) = ( 0.3333333 0.5773503 0.1852384), wk = 0.0032895 k( 288) = ( 0.3333333 0.5773503 0.2006749), wk = 0.0032895 k( 289) = ( 0.3333333 0.5773503 0.2161114), wk = 0.0032895 k( 290) = ( 0.3333333 0.5773503 0.2315480), wk = 0.0032895 k( 291) = ( 0.3333333 0.5773503 0.2469845), wk = 0.0032895 k( 292) = ( 0.3333333 0.5773503 0.2624210), wk = 0.0032895 k( 293) = ( 0.3333333 0.5773503 0.2778576), wk = 0.0032895 k( 294) = ( 0.3333333 0.5773503 0.2932941), wk = 0.0032895 k( 295) = ( 0.3333333 0.5773503 0.3087306), wk = 0.0032895 k( 296) = ( 0.3333333 0.5773503 0.3241672), wk = 0.0032895 k( 297) = ( 0.3333333 0.5773503 0.3396037), wk = 0.0032895 k( 298) = ( 0.3333333 0.5773503 0.3550402), wk = 0.0032895 k( 299) = ( 0.3333333 0.5773503 0.3704768), wk = 0.0032895 k( 300) = ( 0.3333333 0.5773503 0.3859133), wk = 0.0032895 k( 301) = ( 0.3333333 0.5773503 0.4013498), wk = 0.0032895 k( 302) = ( 0.3333333 0.5773503 0.4167864), wk = 0.0032895 k( 303) = ( 0.3333333 0.5773503 0.4322229), wk = 0.0032895 k( 304) = ( 0.3333333 0.5773503 0.4476594), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0263158 -0.0000000 0.0000000), wk = 0.0032895 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0032895 k( 5) = ( 0.0526316 -0.0000000 0.0000000), wk = 0.0032895 k( 6) = ( 0.0657895 -0.0000000 0.0000000), wk = 0.0032895 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0032895 k( 9) = ( 0.1052632 -0.0000000 0.0000000), wk = 0.0032895 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0032895 k( 12) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0032895 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0032895 k( 16) = ( 0.1973684 -0.0000000 0.0000000), wk = 0.0032895 k( 17) = ( 0.2105263 -0.0000000 0.0000000), wk = 0.0032895 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0032895 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0032895 k( 20) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0032895 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0032895 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0032895 k( 24) = ( 0.3026316 -0.0000000 0.0000000), wk = 0.0032895 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0032895 k( 26) = ( 0.3289474 -0.0000000 0.0000000), wk = 0.0032895 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0032895 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0032895 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0032895 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0032895 k( 31) = ( 0.3947368 -0.0000000 0.0000000), wk = 0.0032895 k( 32) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0032895 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0032895 k( 34) = ( 0.4342105 -0.0000000 0.0000000), wk = 0.0032895 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0032895 k( 36) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0032895 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0032895 k( 39) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032895 k( 40) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032895 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0032895 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032895 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032895 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0032895 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0032895 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0032895 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0032895 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0032895 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0032895 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0032895 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032895 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0032895 k( 59) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0032895 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0032895 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0032895 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0032895 k( 65) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0032895 k( 66) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0032895 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0032895 k( 68) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0032895 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0032895 k( 71) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0032895 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0032895 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0032895 k( 74) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032895 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0032895 k( 76) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0032895 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0032895 k( 78) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0032895 k( 79) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0032895 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0032895 k( 81) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0032895 k( 82) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0032895 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0032895 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0032895 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032895 k( 86) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0032895 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0032895 k( 88) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0032895 k( 89) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0032895 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0032895 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0032895 k( 92) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0032895 k( 93) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0032895 k( 94) = ( 0.0984848 0.0984849 0.0000000), wk = 0.0032895 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0032895 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032895 k( 97) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0032895 k( 98) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0032895 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0032895 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0032895 k( 101) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0032895 k( 102) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0032895 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0032895 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0032895 k( 105) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0032895 k( 106) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 139) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0032895 k( 140) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0032895 k( 141) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0032895 k( 142) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0032895 k( 143) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0032895 k( 144) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0032895 k( 145) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0032895 k( 146) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0032895 k( 147) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032895 k( 148) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0032895 k( 149) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0032895 k( 150) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0032895 k( 151) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032895 k( 152) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0032895 k( 153) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0032895 k( 154) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0032895 k( 155) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0032895 k( 156) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0032895 k( 157) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032895 k( 158) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0032895 k( 159) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0032895 k( 160) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0032895 k( 161) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0032895 k( 162) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0032895 k( 163) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0032895 k( 164) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032895 k( 165) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0032895 k( 166) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0032895 k( 167) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0032895 k( 168) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0032895 k( 169) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0032895 k( 170) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032895 k( 171) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0032895 k( 172) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0032895 k( 173) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0032895 k( 174) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0032895 k( 175) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032895 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 177) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 178) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032895 k( 179) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032895 k( 180) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0032895 k( 181) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032895 k( 182) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032895 k( 183) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032895 k( 184) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032895 k( 185) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032895 k( 186) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032895 k( 187) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032895 k( 188) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032895 k( 189) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032895 k( 190) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032895 k( 191) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032895 k( 192) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032895 k( 193) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032895 k( 194) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032895 k( 195) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032895 k( 196) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032895 k( 197) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032895 k( 198) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032895 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 201) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0032895 k( 202) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0032895 k( 203) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0032895 k( 204) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0032895 k( 205) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0032895 k( 206) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0032895 k( 207) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0032895 k( 208) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0032895 k( 209) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0032895 k( 210) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0032895 k( 211) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032895 k( 212) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0032895 k( 213) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0032895 k( 214) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0032895 k( 215) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0032895 k( 216) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0032895 k( 217) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0032895 k( 218) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0032895 k( 219) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0032895 k( 220) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0032895 k( 221) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0032895 k( 222) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032895 k( 223) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0032895 k( 224) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0032895 k( 225) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0032895 k( 226) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0032895 k( 227) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0032895 k( 228) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0032895 k( 229) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0032895 k( 230) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0032895 k( 231) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0032895 k( 232) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0032895 k( 233) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032895 k( 234) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0032895 k( 235) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0032895 k( 236) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0032895 k( 237) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0032895 k( 238) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0032895 k( 239) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0032895 k( 240) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0032895 k( 241) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0032895 k( 242) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0032895 k( 243) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0032895 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032895 k( 246) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0032895 k( 247) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0032895 k( 248) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0032895 k( 249) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0032895 k( 250) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0032895 k( 251) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0032895 k( 252) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0032895 k( 253) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0032895 k( 254) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0032895 k( 255) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0032895 k( 256) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0032895 k( 257) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0032895 k( 258) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0032895 k( 259) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0032895 k( 260) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0032895 k( 261) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0032895 k( 262) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0032895 k( 263) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0032895 k( 264) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0032895 k( 265) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0032895 k( 266) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0032895 k( 267) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0032895 k( 268) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0032895 k( 269) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0032895 k( 270) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0032895 k( 271) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0032895 k( 272) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0032895 k( 273) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0032895 k( 274) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032895 k( 275) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 276) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0032895 k( 277) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0032895 k( 278) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0032895 k( 279) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0032895 k( 280) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0032895 k( 281) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0032895 k( 282) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0032895 k( 283) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0032895 k( 284) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0032895 k( 285) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0032895 k( 286) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0032895 k( 287) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0032895 k( 288) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0032895 k( 289) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0032895 k( 290) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0032895 k( 291) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0032895 k( 292) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0032895 k( 293) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0032895 k( 294) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0032895 k( 295) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0032895 k( 296) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0032895 k( 297) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0032895 k( 298) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0032895 k( 299) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0032895 k( 300) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0032895 k( 301) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0032895 k( 302) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0032895 k( 303) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0032895 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 Dense grid: 73901 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 32511 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 224, 68) NL pseudopotentials 0.25 Mb ( 112, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2057) G-vector shells 0.01 Mb ( 1002) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 224, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.30 Mb ( 146, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxAsO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 13.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 16.3 secs Computing kpt #: 15 total cpu time spent up to now is 17.3 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.7 secs Computing kpt #: 18 total cpu time spent up to now is 20.9 secs Computing kpt #: 19 total cpu time spent up to now is 22.0 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.4 secs Computing kpt #: 22 total cpu time spent up to now is 25.6 secs Computing kpt #: 23 total cpu time spent up to now is 26.7 secs Computing kpt #: 24 total cpu time spent up to now is 27.9 secs Computing kpt #: 25 total cpu time spent up to now is 29.1 secs Computing kpt #: 26 total cpu time spent up to now is 30.3 secs Computing kpt #: 27 total cpu time spent up to now is 31.4 secs Computing kpt #: 28 total cpu time spent up to now is 32.7 secs Computing kpt #: 29 total cpu time spent up to now is 33.9 secs Computing kpt #: 30 total cpu time spent up to now is 35.1 secs Computing kpt #: 31 total cpu time spent up to now is 36.2 secs Computing kpt #: 32 total cpu time spent up to now is 37.4 secs Computing kpt #: 33 total cpu time spent up to now is 38.6 secs Computing kpt #: 34 total cpu time spent up to now is 39.7 secs Computing kpt #: 35 total cpu time spent up to now is 40.8 secs Computing kpt #: 36 total cpu time spent up to now is 41.9 secs Computing kpt #: 37 total cpu time spent up to now is 42.9 secs Computing kpt #: 38 total cpu time spent up to now is 44.0 secs Computing kpt #: 39 total cpu time spent up to now is 45.1 secs Computing kpt #: 40 total cpu time spent up to now is 46.1 secs Computing kpt #: 41 total cpu time spent up to now is 47.2 secs Computing kpt #: 42 total cpu time spent up to now is 48.3 secs Computing kpt #: 43 total cpu time spent up to now is 49.4 secs Computing kpt #: 44 total cpu time spent up to now is 50.6 secs Computing kpt #: 45 total cpu time spent up to now is 51.7 secs Computing kpt #: 46 total cpu time spent up to now is 52.9 secs Computing kpt #: 47 total cpu time spent up to now is 54.1 secs Computing kpt #: 48 total cpu time spent up to now is 55.2 secs Computing kpt #: 49 total cpu time spent up to now is 56.4 secs Computing kpt #: 50 total cpu time spent up to now is 57.5 secs Computing kpt #: 51 total cpu time spent up to now is 58.6 secs Computing kpt #: 52 total cpu time spent up to now is 59.8 secs Computing kpt #: 53 total cpu time spent up to now is 60.9 secs Computing kpt #: 54 total cpu time spent up to now is 62.0 secs Computing kpt #: 55 total cpu time spent up to now is 63.1 secs Computing kpt #: 56 total cpu time spent up to now is 64.2 secs Computing kpt #: 57 total cpu time spent up to now is 65.4 secs Computing kpt #: 58 total cpu time spent up to now is 66.6 secs Computing kpt #: 59 total cpu time spent up to now is 67.7 secs Computing kpt #: 60 total cpu time spent up to now is 68.9 secs Computing kpt #: 61 total cpu time spent up to now is 70.1 secs Computing kpt #: 62 total cpu time spent up to now is 71.4 secs Computing kpt #: 63 total cpu time spent up to now is 72.6 secs Computing kpt #: 64 total cpu time spent up to now is 73.8 secs Computing kpt #: 65 total cpu time spent up to now is 75.1 secs Computing kpt #: 66 total cpu time spent up to now is 76.2 secs Computing kpt #: 67 total cpu time spent up to now is 77.4 secs Computing kpt #: 68 total cpu time spent up to now is 78.7 secs Computing kpt #: 69 total cpu time spent up to now is 80.1 secs Computing kpt #: 70 total cpu time spent up to now is 81.2 secs Computing kpt #: 71 total cpu time spent up to now is 82.3 secs Computing kpt #: 72 total cpu time spent up to now is 83.4 secs Computing kpt #: 73 total cpu time spent up to now is 84.5 secs Computing kpt #: 74 total cpu time spent up to now is 85.5 secs Computing kpt #: 75 total cpu time spent up to now is 86.7 secs Computing kpt #: 76 total cpu time spent up to now is 87.8 secs Computing kpt #: 77 total cpu time spent up to now is 88.9 secs Computing kpt #: 78 total cpu time spent up to now is 90.1 secs Computing kpt #: 79 total cpu time spent up to now is 91.2 secs Computing kpt #: 80 total cpu time spent up to now is 92.3 secs Computing kpt #: 81 total cpu time spent up to now is 93.4 secs Computing kpt #: 82 total cpu time spent up to now is 95.0 secs Computing kpt #: 83 total cpu time spent up to now is 96.1 secs Computing kpt #: 84 total cpu time spent up to now is 97.2 secs Computing kpt #: 85 total cpu time spent up to now is 98.2 secs Computing kpt #: 86 total cpu time spent up to now is 99.2 secs Computing kpt #: 87 total cpu time spent up to now is 100.3 secs Computing kpt #: 88 total cpu time spent up to now is 101.4 secs Computing kpt #: 89 total cpu time spent up to now is 102.4 secs Computing kpt #: 90 total cpu time spent up to now is 103.5 secs Computing kpt #: 91 total cpu time spent up to now is 104.5 secs Computing kpt #: 92 total cpu time spent up to now is 105.6 secs Computing kpt #: 93 total cpu time spent up to now is 106.6 secs Computing kpt #: 94 total cpu time spent up to now is 107.7 secs Computing kpt #: 95 total cpu time spent up to now is 108.7 secs Computing kpt #: 96 total cpu time spent up to now is 109.8 secs Computing kpt #: 97 total cpu time spent up to now is 110.9 secs Computing kpt #: 98 total cpu time spent up to now is 111.9 secs Computing kpt #: 99 total cpu time spent up to now is 113.0 secs Computing kpt #: 100 total cpu time spent up to now is 114.0 secs Computing kpt #: 101 total cpu time spent up to now is 115.0 secs Computing kpt #: 102 total cpu time spent up to now is 116.1 secs Computing kpt #: 103 total cpu time spent up to now is 117.1 secs Computing kpt #: 104 total cpu time spent up to now is 118.1 secs Computing kpt #: 105 total cpu time spent up to now is 119.0 secs Computing kpt #: 106 total cpu time spent up to now is 119.9 secs Computing kpt #: 107 total cpu time spent up to now is 120.8 secs Computing kpt #: 108 total cpu time spent up to now is 121.8 secs Computing kpt #: 109 total cpu time spent up to now is 122.7 secs Computing kpt #: 110 total cpu time spent up to now is 123.6 secs Computing kpt #: 111 total cpu time spent up to now is 124.6 secs Computing kpt #: 112 total cpu time spent up to now is 125.5 secs Computing kpt #: 113 total cpu time spent up to now is 126.5 secs Computing kpt #: 114 total cpu time spent up to now is 127.5 secs Computing kpt #: 115 total cpu time spent up to now is 128.5 secs Computing kpt #: 116 total cpu time spent up to now is 129.4 secs Computing kpt #: 117 total cpu time spent up to now is 130.3 secs Computing kpt #: 118 total cpu time spent up to now is 131.3 secs Computing kpt #: 119 total cpu time spent up to now is 132.1 secs Computing kpt #: 120 total cpu time spent up to now is 133.0 secs Computing kpt #: 121 total cpu time spent up to now is 133.8 secs Computing kpt #: 122 total cpu time spent up to now is 134.7 secs Computing kpt #: 123 total cpu time spent up to now is 135.5 secs Computing kpt #: 124 total cpu time spent up to now is 136.3 secs Computing kpt #: 125 total cpu time spent up to now is 137.1 secs Computing kpt #: 126 total cpu time spent up to now is 137.9 secs Computing kpt #: 127 total cpu time spent up to now is 138.7 secs Computing kpt #: 128 total cpu time spent up to now is 139.5 secs Computing kpt #: 129 total cpu time spent up to now is 140.3 secs Computing kpt #: 130 total cpu time spent up to now is 141.0 secs Computing kpt #: 131 total cpu time spent up to now is 141.8 secs Computing kpt #: 132 total cpu time spent up to now is 142.6 secs Computing kpt #: 133 total cpu time spent up to now is 143.3 secs Computing kpt #: 134 total cpu time spent up to now is 144.1 secs Computing kpt #: 135 total cpu time spent up to now is 144.7 secs Computing kpt #: 136 total cpu time spent up to now is 145.4 secs Computing kpt #: 137 total cpu time spent up to now is 146.1 secs Computing kpt #: 138 total cpu time spent up to now is 146.7 secs Computing kpt #: 139 total cpu time spent up to now is 147.4 secs Computing kpt #: 140 total cpu time spent up to now is 148.1 secs Computing kpt #: 141 total cpu time spent up to now is 148.8 secs Computing kpt #: 142 total cpu time spent up to now is 149.6 secs Computing kpt #: 143 total cpu time spent up to now is 150.3 secs Computing kpt #: 144 total cpu time spent up to now is 151.1 secs Computing kpt #: 145 total cpu time spent up to now is 151.9 secs Computing kpt #: 146 total cpu time spent up to now is 152.7 secs Computing kpt #: 147 total cpu time spent up to now is 153.5 secs Computing kpt #: 148 total cpu time spent up to now is 154.3 secs Computing kpt #: 149 total cpu time spent up to now is 155.1 secs Computing kpt #: 150 total cpu time spent up to now is 155.9 secs Computing kpt #: 151 total cpu time spent up to now is 156.7 secs Computing kpt #: 152 total cpu time spent up to now is 157.6 secs Computing kpt #: 153 total cpu time spent up to now is 158.4 secs Computing kpt #: 154 total cpu time spent up to now is 159.3 secs Computing kpt #: 155 total cpu time spent up to now is 160.2 secs Computing kpt #: 156 total cpu time spent up to now is 161.1 secs Computing kpt #: 157 total cpu time spent up to now is 162.1 secs Computing kpt #: 158 total cpu time spent up to now is 163.0 secs Computing kpt #: 159 total cpu time spent up to now is 164.0 secs Computing kpt #: 160 total cpu time spent up to now is 165.0 secs Computing kpt #: 161 total cpu time spent up to now is 166.2 secs Computing kpt #: 162 total cpu time spent up to now is 167.3 secs Computing kpt #: 163 total cpu time spent up to now is 168.5 secs Computing kpt #: 164 total cpu time spent up to now is 169.6 secs Computing kpt #: 165 total cpu time spent up to now is 170.8 secs Computing kpt #: 166 total cpu time spent up to now is 172.0 secs Computing kpt #: 167 total cpu time spent up to now is 173.3 secs Computing kpt #: 168 total cpu time spent up to now is 174.6 secs Computing kpt #: 169 total cpu time spent up to now is 175.9 secs Computing kpt #: 170 total cpu time spent up to now is 177.2 secs Computing kpt #: 171 total cpu time spent up to now is 178.2 secs Computing kpt #: 172 total cpu time spent up to now is 179.3 secs Computing kpt #: 173 total cpu time spent up to now is 180.3 secs Computing kpt #: 174 total cpu time spent up to now is 181.4 secs Computing kpt #: 175 total cpu time spent up to now is 182.4 secs Computing kpt #: 176 total cpu time spent up to now is 183.4 secs Computing kpt #: 177 total cpu time spent up to now is 184.4 secs Computing kpt #: 178 total cpu time spent up to now is 185.4 secs Computing kpt #: 179 total cpu time spent up to now is 186.4 secs Computing kpt #: 180 total cpu time spent up to now is 187.5 secs Computing kpt #: 181 total cpu time spent up to now is 188.5 secs Computing kpt #: 182 total cpu time spent up to now is 189.6 secs Computing kpt #: 183 total cpu time spent up to now is 190.6 secs Computing kpt #: 184 total cpu time spent up to now is 191.7 secs Computing kpt #: 185 total cpu time spent up to now is 192.9 secs Computing kpt #: 186 total cpu time spent up to now is 193.9 secs Computing kpt #: 187 total cpu time spent up to now is 195.1 secs Computing kpt #: 188 total cpu time spent up to now is 196.2 secs Computing kpt #: 189 total cpu time spent up to now is 197.3 secs Computing kpt #: 190 total cpu time spent up to now is 198.4 secs Computing kpt #: 191 total cpu time spent up to now is 199.5 secs Computing kpt #: 192 total cpu time spent up to now is 200.6 secs Computing kpt #: 193 total cpu time spent up to now is 201.7 secs Computing kpt #: 194 total cpu time spent up to now is 202.8 secs Computing kpt #: 195 total cpu time spent up to now is 203.8 secs Computing kpt #: 196 total cpu time spent up to now is 204.9 secs Computing kpt #: 197 total cpu time spent up to now is 206.0 secs Computing kpt #: 198 total cpu time spent up to now is 207.0 secs Computing kpt #: 199 total cpu time spent up to now is 208.1 secs Computing kpt #: 200 total cpu time spent up to now is 209.1 secs Computing kpt #: 201 total cpu time spent up to now is 210.0 secs Computing kpt #: 202 total cpu time spent up to now is 211.1 secs Computing kpt #: 203 total cpu time spent up to now is 212.1 secs Computing kpt #: 204 total cpu time spent up to now is 213.2 secs Computing kpt #: 205 total cpu time spent up to now is 214.3 secs Computing kpt #: 206 total cpu time spent up to now is 215.4 secs Computing kpt #: 207 total cpu time spent up to now is 216.5 secs Computing kpt #: 208 total cpu time spent up to now is 217.7 secs Computing kpt #: 209 total cpu time spent up to now is 218.9 secs Computing kpt #: 210 total cpu time spent up to now is 220.1 secs Computing kpt #: 211 total cpu time spent up to now is 221.2 secs Computing kpt #: 212 total cpu time spent up to now is 222.4 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.7 secs Computing kpt #: 215 total cpu time spent up to now is 228.0 secs Computing kpt #: 216 total cpu time spent up to now is 229.3 secs Computing kpt #: 217 total cpu time spent up to now is 230.5 secs Computing kpt #: 218 total cpu time spent up to now is 231.6 secs Computing kpt #: 219 total cpu time spent up to now is 232.8 secs Computing kpt #: 220 total cpu time spent up to now is 233.8 secs Computing kpt #: 221 total cpu time spent up to now is 234.8 secs Computing kpt #: 222 total cpu time spent up to now is 235.8 secs Computing kpt #: 223 total cpu time spent up to now is 236.8 secs Computing kpt #: 224 total cpu time spent up to now is 237.7 secs Computing kpt #: 225 total cpu time spent up to now is 238.6 secs Computing kpt #: 226 total cpu time spent up to now is 239.5 secs Computing kpt #: 227 total cpu time spent up to now is 240.4 secs Computing kpt #: 228 total cpu time spent up to now is 241.2 secs Computing kpt #: 229 total cpu time spent up to now is 242.1 secs Computing kpt #: 230 total cpu time spent up to now is 242.9 secs Computing kpt #: 231 total cpu time spent up to now is 243.7 secs Computing kpt #: 232 total cpu time spent up to now is 244.5 secs Computing kpt #: 233 total cpu time spent up to now is 245.3 secs Computing kpt #: 234 total cpu time spent up to now is 246.1 secs Computing kpt #: 235 total cpu time spent up to now is 246.9 secs Computing kpt #: 236 total cpu time spent up to now is 247.7 secs Computing kpt #: 237 total cpu time spent up to now is 248.5 secs Computing kpt #: 238 total cpu time spent up to now is 249.3 secs Computing kpt #: 239 total cpu time spent up to now is 250.0 secs Computing kpt #: 240 total cpu time spent up to now is 250.8 secs Computing kpt #: 241 total cpu time spent up to now is 251.4 secs Computing kpt #: 242 total cpu time spent up to now is 252.1 secs Computing kpt #: 243 total cpu time spent up to now is 252.8 secs Computing kpt #: 244 total cpu time spent up to now is 253.4 secs Computing kpt #: 245 total cpu time spent up to now is 254.5 secs Computing kpt #: 246 total cpu time spent up to now is 255.5 secs Computing kpt #: 247 total cpu time spent up to now is 256.5 secs Computing kpt #: 248 total cpu time spent up to now is 257.5 secs Computing kpt #: 249 total cpu time spent up to now is 258.5 secs Computing kpt #: 250 total cpu time spent up to now is 259.5 secs Computing kpt #: 251 total cpu time spent up to now is 260.6 secs Computing kpt #: 252 total cpu time spent up to now is 261.7 secs Computing kpt #: 253 total cpu time spent up to now is 262.7 secs Computing kpt #: 254 total cpu time spent up to now is 263.7 secs Computing kpt #: 255 total cpu time spent up to now is 264.8 secs Computing kpt #: 256 total cpu time spent up to now is 265.9 secs Computing kpt #: 257 total cpu time spent up to now is 267.1 secs Computing kpt #: 258 total cpu time spent up to now is 268.2 secs Computing kpt #: 259 total cpu time spent up to now is 269.3 secs Computing kpt #: 260 total cpu time spent up to now is 270.4 secs Computing kpt #: 261 total cpu time spent up to now is 271.5 secs Computing kpt #: 262 total cpu time spent up to now is 272.6 secs Computing kpt #: 263 total cpu time spent up to now is 273.7 secs Computing kpt #: 264 total cpu time spent up to now is 274.8 secs Computing kpt #: 265 total cpu time spent up to now is 275.9 secs Computing kpt #: 266 total cpu time spent up to now is 277.0 secs Computing kpt #: 267 total cpu time spent up to now is 278.1 secs Computing kpt #: 268 total cpu time spent up to now is 279.2 secs Computing kpt #: 269 total cpu time spent up to now is 280.2 secs Computing kpt #: 270 total cpu time spent up to now is 281.2 secs Computing kpt #: 271 total cpu time spent up to now is 282.3 secs Computing kpt #: 272 total cpu time spent up to now is 283.4 secs Computing kpt #: 273 total cpu time spent up to now is 284.5 secs Computing kpt #: 274 total cpu time spent up to now is 285.6 secs Computing kpt #: 275 total cpu time spent up to now is 286.8 secs Computing kpt #: 276 total cpu time spent up to now is 288.0 secs Computing kpt #: 277 total cpu time spent up to now is 289.2 secs Computing kpt #: 278 total cpu time spent up to now is 290.4 secs Computing kpt #: 279 total cpu time spent up to now is 291.6 secs Computing kpt #: 280 total cpu time spent up to now is 292.7 secs Computing kpt #: 281 total cpu time spent up to now is 294.0 secs Computing kpt #: 282 total cpu time spent up to now is 295.2 secs Computing kpt #: 283 total cpu time spent up to now is 296.3 secs Computing kpt #: 284 total cpu time spent up to now is 297.5 secs Computing kpt #: 285 total cpu time spent up to now is 298.7 secs Computing kpt #: 286 total cpu time spent up to now is 300.2 secs Computing kpt #: 287 total cpu time spent up to now is 301.7 secs Computing kpt #: 288 total cpu time spent up to now is 302.9 secs Computing kpt #: 289 total cpu time spent up to now is 304.1 secs Computing kpt #: 290 total cpu time spent up to now is 305.3 secs Computing kpt #: 291 total cpu time spent up to now is 306.5 secs Computing kpt #: 292 total cpu time spent up to now is 307.6 secs Computing kpt #: 293 total cpu time spent up to now is 308.7 secs Computing kpt #: 294 total cpu time spent up to now is 309.9 secs Computing kpt #: 295 total cpu time spent up to now is 311.0 secs Computing kpt #: 296 total cpu time spent up to now is 312.1 secs Computing kpt #: 297 total cpu time spent up to now is 313.3 secs Computing kpt #: 298 total cpu time spent up to now is 314.4 secs Computing kpt #: 299 total cpu time spent up to now is 315.5 secs Computing kpt #: 300 total cpu time spent up to now is 316.6 secs Computing kpt #: 301 total cpu time spent up to now is 317.7 secs Computing kpt #: 302 total cpu time spent up to now is 318.7 secs Computing kpt #: 303 total cpu time spent up to now is 319.8 secs Computing kpt #: 304 total cpu time spent up to now is 320.8 secs ethr = 1.79E-08, avg # of iterations = 38.0 total cpu time spent up to now is 320.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -25.5840 -25.5840 -14.9816 -14.9816 -11.7740 -11.7740 -11.7607 -11.7607 -11.7462 -11.7462 -10.4177 -10.4177 -10.3799 -10.3799 -8.2421 -8.2421 -7.1943 -7.1943 -7.1058 -7.1058 -5.6278 -5.6278 -0.8216 -0.8216 -0.4236 -0.4236 0.6493 0.6493 0.6957 0.6957 1.0418 1.0418 1.1026 1.1026 4.0295 4.0295 4.1278 4.1278 4.1323 4.1323 4.8344 4.8344 5.3320 5.3320 5.3842 5.3842 5.3909 5.3909 5.4356 5.4356 5.4512 5.4512 5.5606 5.5606 5.5815 5.5815 9.7602 9.7602 11.4758 11.4758 13.8646 13.8646 14.3304 14.3304 14.4760 14.4760 14.5180 14.5180 k = 0.0132 0.0076-0.0000 ( 4005 PWs) bands (ev): -25.5840 -25.5840 -14.9808 -14.9808 -11.7755 -11.7755 -11.7602 -11.7602 -11.7474 -11.7474 -10.4176 -10.4176 -10.3799 -10.3799 -8.2423 -8.2423 -7.1945 -7.1945 -7.1060 -7.1060 -5.6250 -5.6250 -0.8222 -0.8222 -0.4240 -0.4240 0.6500 0.6500 0.6965 0.6965 1.0431 1.0431 1.1040 1.1040 4.0314 4.0314 4.1241 4.1241 4.1305 4.1305 4.8369 4.8369 5.3296 5.3296 5.3812 5.3812 5.3884 5.3884 5.4322 5.4322 5.4472 5.4472 5.5657 5.5657 5.5858 5.5858 9.7639 9.7639 11.4761 11.4761 13.8649 13.8649 14.3305 14.3305 14.4762 14.4762 14.5181 14.5181 k = 0.0263 0.0152-0.0000 ( 4023 PWs) bands (ev): -25.5840 -25.5840 -14.9784 -14.9784 -11.7803 -11.7803 -11.7594 -11.7594 -11.7500 -11.7500 -10.4174 -10.4174 -10.3798 -10.3798 -8.2430 -8.2430 -7.1952 -7.1952 -7.1065 -7.1065 -5.6164 -5.6164 -0.8239 -0.8239 -0.4251 -0.4251 0.6522 0.6522 0.6986 0.6986 1.0466 1.0466 1.1085 1.1085 4.0368 4.0368 4.1100 4.1100 4.1287 4.1287 4.8439 4.8439 5.3215 5.3215 5.3698 5.3698 5.3829 5.3829 5.4240 5.4240 5.4388 5.4388 5.5769 5.5769 5.5982 5.5982 9.7748 9.7748 11.4771 11.4771 13.8657 13.8657 14.3310 14.3310 14.4766 14.4766 14.5184 14.5184 k = 0.0395 0.0228-0.0000 ( 4023 PWs) bands (ev): -25.5840 -25.5840 -14.9744 -14.9744 -11.7891 -11.7891 -11.7609 -11.7609 -11.7505 -11.7505 -10.4171 -10.4171 -10.3796 -10.3796 -8.2441 -8.2441 -7.1963 -7.1963 -7.1073 -7.1073 -5.6021 -5.6021 -0.8268 -0.8268 -0.4269 -0.4269 0.6558 0.6558 0.7022 0.7022 1.0511 1.0511 1.1175 1.1175 4.0454 4.0454 4.0867 4.0867 4.1269 4.1269 4.8549 4.8549 5.3050 5.3050 5.3490 5.3490 5.3770 5.3770 5.4136 5.4136 5.4317 5.4317 5.5889 5.5889 5.6174 5.6174 9.7928 9.7928 11.4787 11.4787 13.8671 13.8671 14.3318 14.3318 14.4767 14.4767 14.5192 14.5192 k = 0.0526 0.0304-0.0000 ( 4029 PWs) bands (ev): -25.5840 -25.5840 -14.9688 -14.9688 -11.8030 -11.8030 -11.7653 -11.7653 -11.7473 -11.7473 -10.4168 -10.4168 -10.3792 -10.3792 -8.2455 -8.2455 -7.1979 -7.1979 -7.1084 -7.1084 -5.5823 -5.5823 -0.8308 -0.8308 -0.4293 -0.4293 0.6607 0.6607 0.7072 0.7072 1.0548 1.0548 1.1322 1.1322 4.0496 4.0496 4.0624 4.0624 4.1249 4.1249 4.8687 4.8687 5.2781 5.2781 5.3219 5.3219 5.3714 5.3714 5.4024 5.4024 5.4278 5.4278 5.6001 5.6001 5.6401 5.6401 9.8176 9.8176 11.4808 11.4808 13.8688 13.8688 14.3332 14.3332 14.4762 14.4762 14.5210 14.5210 k = 0.0658 0.0380-0.0000 ( 4037 PWs) bands (ev): -25.5839 -25.5839 -14.9617 -14.9617 -11.8220 -11.8220 -11.7704 -11.7704 -11.7421 -11.7421 -10.4168 -10.4168 -10.3785 -10.3785 -8.2474 -8.2474 -7.1999 -7.1999 -7.1098 -7.1098 -5.5571 -5.5571 -0.8362 -0.8362 -0.4319 -0.4319 0.6670 0.6670 0.7136 0.7136 1.0572 1.0572 1.1534 1.1534 4.0143 4.0143 4.0722 4.0722 4.1242 4.1242 4.8843 4.8843 5.2405 5.2405 5.2919 5.2919 5.3661 5.3661 5.3914 5.3914 5.4264 5.4264 5.6101 5.6101 5.6641 5.6641 9.8488 9.8488 11.4835 11.4835 13.8706 13.8706 14.3353 14.3353 14.4745 14.4745 14.5241 14.5241 k = 0.0789 0.0456-0.0000 ( 4037 PWs) bands (ev): -25.5839 -25.5839 -14.9530 -14.9530 -11.8459 -11.8459 -11.7758 -11.7758 -11.7356 -11.7356 -10.4173 -10.4173 -10.3774 -10.3774 -8.2497 -8.2497 -7.2023 -7.2023 -7.1115 -7.1115 -5.5265 -5.5265 -0.8428 -0.8428 -0.4347 -0.4347 0.6746 0.6746 0.7214 0.7214 1.0582 1.0582 1.1806 1.1806 3.9699 3.9699 4.0831 4.0831 4.1284 4.1284 4.9005 4.9005 5.1939 5.1939 5.2605 5.2605 5.3592 5.3592 5.3820 5.3820 5.4268 5.4268 5.6188 5.6188 5.6881 5.6881 9.8859 9.8859 11.4867 11.4867 13.8724 13.8724 14.3381 14.3381 14.4714 14.4714 14.5285 14.5285 k = 0.0921 0.0532-0.0000 ( 4045 PWs) bands (ev): -25.5838 -25.5838 -14.9427 -14.9427 -11.8741 -11.8741 -11.7816 -11.7816 -11.7278 -11.7278 -10.4184 -10.4184 -10.3759 -10.3759 -8.2524 -8.2524 -7.2052 -7.2052 -7.1134 -7.1134 -5.4908 -5.4908 -0.8508 -0.8508 -0.4374 -0.4374 0.6834 0.6834 0.7307 0.7307 1.0584 1.0584 1.2133 1.2133 3.9203 3.9203 4.0867 4.0867 4.1423 4.1423 4.9163 4.9163 5.1398 5.1398 5.2286 5.2286 5.3485 5.3485 5.3757 5.3757 5.4287 5.4287 5.6263 5.6263 5.7115 5.7115 9.9284 9.9284 11.4901 11.4901 13.8737 13.8737 14.3418 14.3418 14.4672 14.4672 14.5342 14.5342 k = 0.1053 0.0608-0.0000 ( 4043 PWs) bands (ev): -25.5838 -25.5838 -14.9308 -14.9308 -11.9063 -11.9063 -11.7879 -11.7879 -11.7189 -11.7189 -10.4204 -10.4204 -10.3737 -10.3737 -8.2554 -8.2554 -7.2085 -7.2085 -7.1155 -7.1155 -5.4501 -5.4501 -0.8602 -0.8602 -0.4397 -0.4397 0.6933 0.6933 0.7413 0.7413 1.0580 1.0580 1.2508 1.2508 3.8666 3.8666 4.0837 4.0837 4.1652 4.1652 4.9306 4.9306 5.0800 5.0800 5.1965 5.1965 5.3341 5.3341 5.3722 5.3722 5.4321 5.4321 5.6326 5.6326 5.7338 5.7338 9.9756 9.9756 11.4939 11.4939 13.8743 13.8743 14.3463 14.3463 14.4623 14.4623 14.5409 14.5409 k = 0.1184 0.0684-0.0000 ( 4041 PWs) bands (ev): -25.5837 -25.5837 -14.9174 -14.9174 -11.9421 -11.9421 -11.7946 -11.7946 -11.7088 -11.7088 -10.4232 -10.4232 -10.3711 -10.3711 -8.2587 -8.2587 -7.2121 -7.2121 -7.1178 -7.1178 -5.4047 -5.4047 -0.8712 -0.8712 -0.4415 -0.4415 0.7041 0.7041 0.7534 0.7534 1.0575 1.0575 1.2925 1.2925 3.8096 3.8096 4.0772 4.0772 4.1937 4.1937 4.9416 4.9416 5.0165 5.0165 5.1644 5.1644 5.3174 5.3174 5.3701 5.3701 5.4368 5.4368 5.6376 5.6376 5.7548 5.7548 10.0271 10.0271 11.4977 11.4977 13.8737 13.8737 14.3519 14.3519 14.4572 14.4572 14.5485 14.5485 k = 0.1316 0.0760-0.0000 ( 4039 PWs) bands (ev): -25.5836 -25.5836 -14.9025 -14.9025 -11.9813 -11.9813 -11.8017 -11.8017 -11.6976 -11.6976 -10.4270 -10.4270 -10.3680 -10.3680 -8.2623 -8.2623 -7.2162 -7.2162 -7.1203 -7.1203 -5.3549 -5.3549 -0.8837 -0.8837 -0.4424 -0.4424 0.7158 0.7158 0.7669 0.7669 1.0570 1.0570 1.3377 1.3377 3.7500 3.7500 4.0688 4.0688 4.2258 4.2258 4.9319 4.9319 4.9668 4.9668 5.1327 5.1327 5.2990 5.2990 5.3689 5.3689 5.4428 5.4428 5.6414 5.6414 5.7743 5.7743 10.0821 10.0821 11.5016 11.5016 13.8716 13.8716 14.3582 14.3582 14.4525 14.4525 14.5567 14.5567 k = 0.1447 0.0836-0.0000 ( 4039 PWs) bands (ev): -25.5835 -25.5835 -14.8861 -14.8861 -12.0235 -12.0235 -11.8093 -11.8093 -11.6853 -11.6853 -10.4318 -10.4318 -10.3645 -10.3645 -8.2662 -8.2662 -7.2205 -7.2205 -7.1229 -7.1229 -5.3008 -5.3008 -0.8978 -0.8978 -0.4424 -0.4424 0.7281 0.7281 0.7817 0.7817 1.0567 1.0567 1.3861 1.3861 3.6884 3.6884 4.0589 4.0589 4.2610 4.2610 4.8671 4.8671 4.9652 4.9652 5.1020 5.1020 5.2793 5.2793 5.3684 5.3684 5.4502 5.4502 5.6441 5.6441 5.7923 5.7923 10.1401 10.1401 11.5054 11.5054 13.8676 13.8676 14.3654 14.3654 14.4488 14.4488 14.5656 14.5656 k = 0.1579 0.0912-0.0000 ( 4045 PWs) bands (ev): -25.5834 -25.5834 -14.8682 -14.8682 -12.0684 -12.0684 -11.8172 -11.8172 -11.6719 -11.6719 -10.4376 -10.4376 -10.3607 -10.3607 -8.2703 -8.2703 -7.2252 -7.2252 -7.1255 -7.1255 -5.2428 -5.2428 -0.9137 -0.9137 -0.4411 -0.4411 0.7409 0.7409 0.7979 0.7979 1.0569 1.0569 1.4370 1.4370 3.6255 3.6255 4.0479 4.0479 4.2985 4.2985 4.7924 4.7924 4.9662 4.9662 5.0731 5.0731 5.2586 5.2586 5.3684 5.3684 5.4587 5.4587 5.6457 5.6457 5.8085 5.8085 10.2005 10.2005 11.5089 11.5089 13.8614 13.8614 14.3732 14.3732 14.4467 14.4467 14.5753 14.5753 k = 0.1711 0.0988-0.0000 ( 4037 PWs) bands (ev): -25.5833 -25.5833 -14.8488 -14.8488 -12.1157 -12.1157 -11.8255 -11.8255 -11.6575 -11.6575 -10.4444 -10.4444 -10.3567 -10.3567 -8.2747 -8.2747 -7.2302 -7.2302 -7.1282 -7.1282 -5.1812 -5.1812 -0.9314 -0.9314 -0.4384 -0.4384 0.7541 0.7541 0.8155 0.8155 1.0576 1.0576 1.4900 1.4900 3.5619 3.5619 4.0358 4.0358 4.3379 4.3379 4.7151 4.7151 4.9618 4.9618 5.0477 5.0477 5.2371 5.2371 5.3689 5.3689 5.4685 5.4685 5.6462 5.6462 5.8229 5.8229 10.2627 10.2627 11.5120 11.5120 13.8530 13.8530 14.3816 14.3816 14.4467 14.4467 14.5859 14.5859 k = 0.1842 0.1064-0.0000 ( 4033 PWs) bands (ev): -25.5832 -25.5832 -14.8281 -14.8281 -12.1652 -12.1652 -11.8341 -11.8341 -11.6420 -11.6420 -10.4523 -10.4523 -10.3526 -10.3526 -8.2792 -8.2792 -7.2354 -7.2354 -7.1309 -7.1309 -5.1162 -5.1162 -0.9508 -0.9508 -0.4342 -0.4342 0.7673 0.7673 0.8343 0.8343 1.0589 1.0589 1.5446 1.5446 3.4981 3.4981 4.0226 4.0226 4.3787 4.3787 4.6367 4.6367 4.9496 4.9496 5.0276 5.0276 5.2148 5.2148 5.3699 5.3699 5.4794 5.4794 5.6457 5.6457 5.8356 5.8356 10.3262 10.3262 11.5146 11.5146 13.8422 13.8422 14.3904 14.3904 14.4491 14.4491 14.5975 14.5975 k = 0.1974 0.1140-0.0000 ( 4053 PWs) bands (ev): -25.5831 -25.5831 -14.8059 -14.8059 -12.2166 -12.2166 -11.8428 -11.8428 -11.6255 -11.6255 -10.4611 -10.4611 -10.3483 -10.3483 -8.2838 -8.2838 -7.2409 -7.2409 -7.1336 -7.1336 -5.0482 -5.0482 -0.9721 -0.9721 -0.4283 -0.4283 0.7806 0.7806 0.8543 0.8543 1.0610 1.0610 1.6000 1.6000 3.4348 3.4348 4.0080 4.0080 4.4192 4.4192 4.5592 4.5592 4.9293 4.9293 5.0131 5.0131 5.1921 5.1921 5.3712 5.3712 5.4911 5.4911 5.6442 5.6442 5.8465 5.8465 10.3905 10.3905 11.5166 11.5166 13.8292 13.8292 14.3995 14.3995 14.4537 14.4537 14.6105 14.6105 k = 0.2105 0.1215-0.0000 ( 4053 PWs) bands (ev): -25.5830 -25.5830 -14.7823 -14.7823 -12.2697 -12.2697 -11.8517 -11.8517 -11.6081 -11.6081 -10.4711 -10.4711 -10.3441 -10.3441 -8.2886 -8.2886 -7.2465 -7.2465 -7.1363 -7.1363 -4.9776 -4.9776 -0.9953 -0.9953 -0.4207 -0.4207 0.7936 0.7936 0.8753 0.8753 1.0637 1.0637 1.6559 1.6559 3.3726 3.3726 3.9919 3.9919 4.4446 4.4446 4.4984 4.4984 4.9034 4.9034 5.0021 5.0021 5.1690 5.1690 5.3727 5.3727 5.5036 5.5036 5.6418 5.6418 5.8558 5.8558 10.4551 10.4551 11.5179 11.5179 13.8144 13.8144 14.4089 14.4089 14.4606 14.4606 14.6253 14.6253 k = 0.2237 0.1291-0.0000 ( 4041 PWs) bands (ev): -25.5829 -25.5829 -14.7575 -14.7575 -12.3241 -12.3241 -11.8607 -11.8607 -11.5897 -11.5897 -10.4821 -10.4821 -10.3399 -10.3399 -8.2934 -8.2934 -7.2522 -7.2522 -7.1390 -7.1390 -4.9046 -4.9046 -1.0203 -1.0203 -0.4112 -0.4112 0.8062 0.8062 0.8973 0.8973 1.0672 1.0672 1.7113 1.7113 3.3125 3.3125 3.9737 3.9737 4.3905 4.3905 4.5194 4.5194 4.8745 4.8745 4.9921 4.9921 5.1458 5.1458 5.3742 5.3742 5.5167 5.5167 5.6384 5.6384 5.8633 5.8633 10.5197 10.5197 11.5183 11.5183 13.7982 13.7982 14.4185 14.4185 14.4694 14.4694 14.6420 14.6420 k = 0.2368 0.1367-0.0000 ( 4055 PWs) bands (ev): -25.5828 -25.5828 -14.7314 -14.7314 -12.3796 -12.3796 -11.8697 -11.8697 -11.5705 -11.5705 -10.4941 -10.4941 -10.3357 -10.3357 -8.2982 -8.2982 -7.2580 -7.2580 -7.1416 -7.1416 -4.8295 -4.8295 -1.0472 -1.0472 -0.3998 -0.3998 0.8182 0.8182 0.9200 0.9200 1.0715 1.0715 1.7657 1.7657 3.2551 3.2551 3.9527 3.9527 4.3183 4.3183 4.5618 4.5618 4.8440 4.8440 4.9819 4.9819 5.1226 5.1226 5.3757 5.3757 5.5302 5.5302 5.6342 5.6342 5.8693 5.8693 10.5836 10.5836 11.5179 11.5179 13.7810 13.7810 14.4278 14.4278 14.4800 14.4800 14.6609 14.6609 k = 0.2500 0.1443-0.0000 ( 4057 PWs) bands (ev): -25.5827 -25.5827 -14.7040 -14.7040 -12.4360 -12.4360 -11.8787 -11.8787 -11.5504 -11.5504 -10.5072 -10.5072 -10.3316 -10.3316 -8.3030 -8.3030 -7.2638 -7.2638 -7.1441 -7.1441 -4.7529 -4.7529 -1.0758 -1.0758 -0.3866 -0.3866 0.8294 0.8294 0.9432 0.9432 1.0767 1.0767 1.8181 1.8181 3.2015 3.2015 3.9274 3.9274 4.2490 4.2490 4.6061 4.6061 4.8127 4.8127 4.9713 4.9713 5.0997 5.0997 5.3770 5.3770 5.5438 5.5438 5.6291 5.6291 5.8738 5.8738 10.6467 10.6467 11.5165 11.5165 13.7632 13.7632 14.4367 14.4367 14.4923 14.4923 14.6823 14.6823 k = 0.2632 0.1519-0.0000 ( 4065 PWs) bands (ev): -25.5825 -25.5825 -14.6756 -14.6756 -12.4930 -12.4930 -11.8876 -11.8876 -11.5295 -11.5295 -10.5214 -10.5214 -10.3276 -10.3276 -8.3078 -8.3078 -7.2696 -7.2696 -7.1465 -7.1465 -4.6749 -4.6749 -1.1062 -1.1062 -0.3715 -0.3715 0.8396 0.8396 0.9667 0.9667 1.0828 1.0828 1.8675 1.8675 3.1526 3.1526 3.8962 3.8962 4.1864 4.1864 4.6503 4.6503 4.7810 4.7810 4.9600 4.9600 5.0774 5.0774 5.3780 5.3780 5.5574 5.5574 5.6232 5.6232 5.8770 5.8770 10.7084 10.7084 11.5143 11.5143 13.7453 13.7453 14.4446 14.4446 14.5064 14.5064 14.7063 14.7063 k = 0.2763 0.1595-0.0000 ( 4065 PWs) bands (ev): -25.5824 -25.5824 -14.6461 -14.6461 -12.5504 -12.5504 -11.8963 -11.8963 -11.5079 -11.5079 -10.5366 -10.5366 -10.3237 -10.3237 -8.3125 -8.3125 -7.2754 -7.2754 -7.1488 -7.1488 -4.5961 -4.5961 -1.1382 -1.1382 -0.3545 -0.3545 0.8485 0.8485 0.9901 0.9901 1.0900 1.0900 1.9130 1.9130 3.1097 3.1097 3.8574 3.8574 4.1331 4.1331 4.6935 4.6935 4.7490 4.7490 4.9481 4.9481 5.0564 5.0564 5.3787 5.3787 5.5708 5.5708 5.6165 5.6165 5.8790 5.8790 10.7685 10.7685 11.5112 11.5112 13.7277 13.7277 14.4515 14.4515 14.5221 14.5221 14.7329 14.7329 k = 0.2895 0.1671-0.0000 ( 4065 PWs) bands (ev): -25.5823 -25.5823 -14.6156 -14.6156 -12.6080 -12.6080 -11.9049 -11.9049 -11.4857 -11.4857 -10.5527 -10.5527 -10.3200 -10.3200 -8.3171 -8.3171 -7.2810 -7.2810 -7.1510 -7.1510 -4.5167 -4.5167 -1.1717 -1.1717 -0.3356 -0.3356 0.8560 0.8560 1.0129 1.0129 1.0984 1.0984 1.9533 1.9533 3.0740 3.0740 3.8102 3.8102 4.0902 4.0902 4.7166 4.7166 4.7350 4.7350 4.9359 4.9359 5.0373 5.0373 5.3789 5.3789 5.5840 5.5840 5.6091 5.6091 5.8799 5.8799 10.8266 10.8266 11.5074 11.5074 13.7105 13.7105 14.4572 14.4572 14.5392 14.5392 14.7620 14.7620 k = 0.3026 0.1747-0.0000 ( 4067 PWs) bands (ev): -25.5822 -25.5822 -14.5842 -14.5842 -12.6654 -12.6654 -11.9131 -11.9131 -11.4628 -11.4628 -10.5699 -10.5699 -10.3164 -10.3164 -8.3216 -8.3216 -7.2865 -7.2865 -7.1530 -7.1530 -4.4374 -4.4374 -1.2066 -1.2066 -0.3151 -0.3151 0.8618 0.8618 1.0343 1.0343 1.1087 1.1087 1.9874 1.9874 3.0465 3.0465 3.7558 3.7558 4.0572 4.0572 4.6845 4.6845 4.7727 4.7727 4.9234 4.9234 5.0215 5.0215 5.3785 5.3785 5.5964 5.5964 5.6010 5.6010 5.8799 5.8799 10.8825 10.8825 11.5029 11.5029 13.6940 13.6940 14.4619 14.4619 14.5576 14.5576 14.7937 14.7937 k = 0.3158 0.1823-0.0000 ( 4065 PWs) bands (ev): -25.5821 -25.5821 -14.5521 -14.5521 -12.7225 -12.7225 -11.9211 -11.9211 -11.4395 -11.4395 -10.5878 -10.5878 -10.3130 -10.3130 -8.3259 -8.3259 -7.2918 -7.2918 -7.1549 -7.1549 -4.3584 -4.3584 -1.2426 -1.2426 -0.2930 -0.2930 0.8658 0.8658 1.0536 1.0536 1.1213 1.1213 2.0144 2.0144 3.0283 3.0283 3.6968 3.6968 4.0320 4.0320 4.6523 4.6523 4.8044 4.8044 4.9109 4.9109 5.0115 5.0115 5.3777 5.3777 5.5918 5.5918 5.6089 5.6089 5.8793 5.8793 10.9357 10.9357 11.4979 11.4979 13.6783 13.6783 14.4656 14.4656 14.5769 14.5769 14.8276 14.8276 k = 0.3289 0.1899-0.0000 ( 4064 PWs) bands (ev): -25.5820 -25.5820 -14.5195 -14.5195 -12.7789 -12.7789 -11.9287 -11.9287 -11.4157 -11.4157 -10.6066 -10.6066 -10.3098 -10.3098 -8.3301 -8.3301 -7.2969 -7.2969 -7.1567 -7.1567 -4.2803 -4.2803 -1.2795 -1.2795 -0.2694 -0.2694 0.8676 0.8676 1.0698 1.0698 1.1366 1.1366 2.0338 2.0338 3.0198 3.0198 3.6357 3.6357 4.0126 4.0126 4.6203 4.6203 4.8267 4.8267 4.8985 4.8985 5.0107 5.0107 5.3763 5.3763 5.5821 5.5821 5.6203 5.6203 5.8780 5.8780 10.9860 10.9860 11.4927 11.4927 13.6634 13.6634 14.4684 14.4684 14.5969 14.5969 14.8636 14.8636 k = 0.3421 0.1975-0.0000 ( 4060 PWs) bands (ev): -25.5819 -25.5819 -14.4864 -14.4864 -12.8343 -12.8343 -11.9359 -11.9359 -11.3916 -11.3916 -10.6260 -10.6260 -10.3067 -10.3067 -8.3340 -8.3340 -7.3017 -7.3017 -7.1584 -7.1584 -4.2036 -4.2036 -1.3171 -1.3171 -0.2446 -0.2446 0.8673 0.8673 1.0830 1.0830 1.1546 1.1546 2.0457 2.0457 3.0209 3.0209 3.5746 3.5746 3.9973 3.9973 4.5885 4.5885 4.8369 4.8369 4.8863 4.8863 5.0216 5.0216 5.3745 5.3745 5.5717 5.5717 5.6310 5.6310 5.8763 5.8763 11.0330 11.0330 11.4875 11.4875 13.6494 13.6494 14.4707 14.4707 14.6174 14.6174 14.9008 14.9008 k = 0.3553 0.2051-0.0000 ( 4060 PWs) bands (ev): -25.5818 -25.5818 -14.4532 -14.4532 -12.8885 -12.8885 -11.9427 -11.9427 -11.3674 -11.3674 -10.6461 -10.6461 -10.3039 -10.3039 -8.3377 -8.3377 -7.3063 -7.3063 -7.1599 -7.1599 -4.1288 -4.1288 -1.3549 -1.3549 -0.2188 -0.2188 0.8647 0.8647 1.0937 1.0937 1.1744 1.1744 2.0508 2.0508 3.0310 3.0310 3.5149 3.5149 3.9851 3.9851 4.5571 4.5571 4.8360 4.8360 4.8744 4.8744 5.0433 5.0433 5.3721 5.3721 5.5605 5.5605 5.6410 5.6410 5.8744 5.8744 11.0765 11.0765 11.4825 11.4825 13.6363 13.6363 14.4724 14.4724 14.6381 14.6381 14.9366 14.9366 k = 0.3684 0.2127-0.0000 ( 4052 PWs) bands (ev): -25.5817 -25.5817 -14.4200 -14.4200 -12.9411 -12.9411 -11.9490 -11.9490 -11.3431 -11.3431 -10.6665 -10.6665 -10.3013 -10.3013 -8.3411 -8.3411 -7.3105 -7.3105 -7.1613 -7.1613 -4.0567 -4.0567 -1.3926 -1.3926 -0.1924 -0.1924 0.8599 0.8599 1.1024 1.1024 1.1950 1.1950 2.0502 2.0502 3.0485 3.0485 3.4577 3.4577 3.9752 3.9752 4.5262 4.5262 4.8281 4.8281 4.8629 4.8629 5.0718 5.0718 5.3693 5.3693 5.5487 5.5487 5.6502 5.6502 5.8724 5.8724 11.1160 11.1160 11.4782 11.4782 13.6240 13.6240 14.4737 14.4737 14.6589 14.6589 14.9596 14.9596 k = 0.3816 0.2203-0.0000 ( 4056 PWs) bands (ev): -25.5816 -25.5816 -14.3873 -14.3873 -12.9916 -12.9916 -11.9548 -11.9548 -11.3191 -11.3191 -10.6871 -10.6871 -10.2989 -10.2989 -8.3443 -8.3443 -7.3144 -7.3144 -7.1625 -7.1625 -3.9878 -3.9878 -1.4298 -1.4298 -0.1656 -0.1656 0.8530 0.8530 1.1097 1.1097 1.2154 1.2154 2.0453 2.0453 3.0719 3.0719 3.4039 3.4039 3.9671 3.9671 4.4961 4.4961 4.8167 4.8167 4.8520 4.8520 5.1035 5.1035 5.3662 5.3662 5.5360 5.5360 5.6585 5.6585 5.8703 5.8703 11.1513 11.1513 11.4748 11.4748 13.6126 13.6126 14.4746 14.4746 14.6794 14.6794 14.9632 14.9632 k = 0.3947 0.2279-0.0000 ( 4064 PWs) bands (ev): -25.5815 -25.5815 -14.3553 -14.3553 -13.0397 -13.0397 -11.9601 -11.9601 -11.2954 -11.2954 -10.7078 -10.7078 -10.2967 -10.2967 -8.3472 -8.3472 -7.3180 -7.3180 -7.1636 -7.1636 -3.9228 -3.9228 -1.4658 -1.4658 -0.1390 -0.1390 0.8441 0.8441 1.1161 1.1161 1.2352 1.2352 2.0375 2.0375 3.0993 3.0993 3.3542 3.3542 3.9605 3.9605 4.4671 4.4671 4.8038 4.8038 4.8419 4.8419 5.1363 5.1363 5.3629 5.3629 5.5226 5.5226 5.6659 5.6659 5.8683 5.8683 11.1820 11.1820 11.4727 11.4727 13.6020 13.6020 14.4752 14.4752 14.6995 14.6995 14.9610 14.9610 k = 0.4079 0.2355-0.0000 ( 4056 PWs) bands (ev): -25.5815 -25.5815 -14.3247 -14.3247 -13.0847 -13.0847 -11.9649 -11.9649 -11.2724 -11.2724 -10.7281 -10.7281 -10.2948 -10.2948 -8.3497 -8.3497 -7.3211 -7.3211 -7.1646 -7.1646 -3.8626 -3.8626 -1.5001 -1.5001 -0.1130 -0.1130 0.8338 0.8338 1.1215 1.1215 1.2538 1.2538 2.0282 2.0282 3.1287 3.1287 3.3091 3.3091 3.9552 3.9552 4.4396 4.4396 4.7909 4.7909 4.8327 4.8327 5.1690 5.1690 5.3595 5.3595 5.5085 5.5085 5.6724 5.6724 5.8665 5.8665 11.2079 11.2079 11.4720 11.4720 13.5923 13.5923 14.4757 14.4757 14.7188 14.7188 14.9578 14.9578 k = 0.4211 0.2431-0.0000 ( 4062 PWs) bands (ev): -25.5814 -25.5814 -14.2959 -14.2959 -13.1261 -13.1261 -11.9690 -11.9690 -11.2505 -11.2505 -10.7478 -10.7478 -10.2931 -10.2931 -8.3520 -8.3520 -7.3239 -7.3239 -7.1654 -7.1654 -3.8080 -3.8080 -1.5319 -1.5319 -0.0882 -0.0882 0.8224 0.8224 1.1261 1.1261 1.2707 1.2707 2.0186 2.0186 3.1583 3.1583 3.2691 3.2691 3.9510 3.9510 4.4139 4.4139 4.7786 4.7786 4.8245 4.8245 5.2009 5.2009 5.3562 5.3562 5.4935 5.4935 5.6781 5.6781 5.8649 5.8649 11.2289 11.2289 11.4729 11.4729 13.5836 13.5836 14.4760 14.4760 14.7371 14.7371 14.9545 14.9545 k = 0.4342 0.2507-0.0000 ( 4062 PWs) bands (ev): -25.5814 -25.5814 -14.2695 -14.2695 -13.1632 -13.1632 -11.9725 -11.9725 -11.2300 -11.2300 -10.7662 -10.7662 -10.2917 -10.2917 -8.3539 -8.3539 -7.3263 -7.3263 -7.1661 -7.1661 -3.7598 -3.7598 -1.5607 -1.5607 -0.0653 -0.0653 0.8108 0.8108 1.1300 1.1300 1.2857 1.2857 2.0093 2.0093 3.1859 3.1859 3.2354 3.2354 3.9477 3.9477 4.3906 4.3906 4.7676 4.7676 4.8173 4.8173 5.2314 5.2314 5.3530 5.3530 5.4777 5.4777 5.6828 5.6828 5.8635 5.8635 11.2454 11.2454 11.4750 11.4750 13.5759 13.5759 14.4761 14.4761 14.7538 14.7538 14.9514 14.9514 k = 0.4474 0.2583-0.0000 ( 4066 PWs) bands (ev): -25.5813 -25.5813 -14.2464 -14.2464 -13.1951 -13.1951 -11.9755 -11.9755 -11.2117 -11.2117 -10.7830 -10.7830 -10.2905 -10.2905 -8.3555 -8.3555 -7.3282 -7.3282 -7.1667 -7.1667 -3.7188 -3.7188 -1.5856 -1.5856 -0.0451 -0.0451 0.7996 0.7996 1.1331 1.1331 1.2984 1.2984 2.0011 2.0011 3.1986 3.1986 3.2195 3.2195 3.9452 3.9452 4.3703 4.3703 4.7581 4.7581 4.8114 4.8114 5.2603 5.2603 5.3502 5.3502 5.4613 5.4613 5.6867 5.6867 5.8623 5.8623 11.2576 11.2576 11.4781 11.4781 13.5695 13.5695 14.4762 14.4762 14.7686 14.7686 14.9486 14.9486 k = 0.4605 0.2659-0.0000 ( 4070 PWs) bands (ev): -25.5813 -25.5813 -14.2272 -14.2272 -13.2212 -13.2212 -11.9777 -11.9777 -11.1962 -11.1962 -10.7973 -10.7973 -10.2896 -10.2896 -8.3568 -8.3568 -7.3298 -7.3298 -7.1671 -7.1671 -3.6859 -3.6859 -1.6058 -1.6058 -0.0282 -0.0282 0.7897 0.7897 1.1356 1.1356 1.3086 1.3086 1.9944 1.9944 3.1801 3.1801 3.2368 3.2368 3.9434 3.9434 4.3536 4.3536 4.7505 4.7505 4.8066 4.8066 5.2870 5.2870 5.3479 5.3479 5.4444 5.4444 5.6897 5.6897 5.8614 5.8614 11.2661 11.2661 11.4814 11.4814 13.5643 13.5643 14.4763 14.4763 14.7809 14.7809 14.9461 14.9461 k = 0.4737 0.2735-0.0000 ( 4068 PWs) bands (ev): -25.5813 -25.5813 -14.2129 -14.2129 -13.2405 -13.2405 -11.9794 -11.9794 -11.1843 -11.1843 -10.8084 -10.8084 -10.2889 -10.2889 -8.3576 -8.3576 -7.3309 -7.3309 -7.1675 -7.1675 -3.6618 -3.6618 -1.6208 -1.6208 -0.0156 -0.0156 0.7819 0.7819 1.1373 1.1373 1.3161 1.3161 1.9895 1.9895 3.1642 3.1642 3.2526 3.2526 3.9421 3.9421 4.3412 4.3412 4.7449 4.7449 4.8032 4.8032 5.3108 5.3108 5.3462 5.3462 5.4277 5.4277 5.6918 5.6918 5.8608 5.8608 11.2717 11.2717 11.4843 11.4843 13.5605 13.5605 14.4763 14.4763 14.7902 14.7902 14.9441 14.9441 k = 0.4868 0.2811-0.0000 ( 4068 PWs) bands (ev): -25.5813 -25.5813 -14.2039 -14.2039 -13.2524 -13.2524 -11.9804 -11.9804 -11.1768 -11.1768 -10.8154 -10.8154 -10.2885 -10.2885 -8.3582 -8.3582 -7.3315 -7.3315 -7.1676 -7.1676 -3.6471 -3.6471 -1.6301 -1.6301 -0.0077 -0.0077 0.7769 0.7769 1.1383 1.1383 1.3206 1.3206 1.9864 1.9864 3.1544 3.1544 3.2626 3.2626 3.9414 3.9414 4.3335 4.3335 4.7415 4.7415 4.8012 4.8012 5.3294 5.3294 5.3451 5.3451 5.4134 5.4134 5.6931 5.6931 5.8604 5.8604 11.2748 11.2748 11.4863 11.4863 13.5582 13.5582 14.4763 14.4763 14.7961 14.7961 14.9429 14.9429 k = 0.5000 0.2887-0.0000 ( 4080 PWs) bands (ev): -25.5813 -25.5813 -14.2009 -14.2009 -13.2564 -13.2564 -11.9807 -11.9807 -11.1742 -11.1742 -10.8178 -10.8178 -10.2884 -10.2884 -8.3584 -8.3584 -7.3318 -7.3318 -7.1677 -7.1677 -3.6422 -3.6422 -1.6332 -1.6332 -0.0050 -0.0050 0.7752 0.7752 1.1387 1.1387 1.3221 1.3221 1.9854 1.9854 3.1511 3.1511 3.2660 3.2660 3.9412 3.9412 4.3309 4.3309 4.7404 4.7404 4.8005 4.8005 5.3373 5.3373 5.3446 5.3446 5.4070 5.4070 5.6935 5.6935 5.8603 5.8603 11.2757 11.2757 11.4870 11.4870 13.5574 13.5574 14.4763 14.4763 14.7980 14.7980 14.9424 14.9424 k = 0.5000 0.2887-0.0000 ( 4080 PWs) bands (ev): -25.5813 -25.5813 -14.2009 -14.2009 -13.2564 -13.2564 -11.9807 -11.9807 -11.1742 -11.1742 -10.8178 -10.8178 -10.2884 -10.2884 -8.3584 -8.3584 -7.3318 -7.3318 -7.1677 -7.1677 -3.6422 -3.6422 -1.6332 -1.6332 -0.0050 -0.0050 0.7752 0.7752 1.1387 1.1387 1.3221 1.3221 1.9854 1.9854 3.1511 3.1511 3.2660 3.2660 3.9412 3.9412 4.3309 4.3309 4.7404 4.7404 4.8005 4.8005 5.3373 5.3373 5.3446 5.3446 5.4070 5.4070 5.6935 5.6935 5.8603 5.8603 11.2757 11.2757 11.4870 11.4870 13.5574 13.5574 14.4763 14.4763 14.7980 14.7980 14.9424 14.9424 k = 0.4924 0.3018-0.0000 ( 4066 PWs) bands (ev): -25.5813 -25.5813 -14.2000 -14.2000 -13.2576 -13.2576 -11.9809 -11.9809 -11.1737 -11.1737 -10.8180 -10.8180 -10.2886 -10.2886 -8.3584 -8.3584 -7.3318 -7.3318 -7.1677 -7.1677 -3.6397 -3.6397 -1.6358 -1.6358 -0.0045 -0.0045 0.7729 0.7729 1.1401 1.1401 1.3258 1.3258 1.9851 1.9851 3.1493 3.1493 3.2596 3.2596 3.9466 3.9466 4.3329 4.3329 4.7405 4.7405 4.8007 4.8007 5.3349 5.3349 5.3469 5.3469 5.4053 5.4053 5.6936 5.6936 5.8601 5.8601 11.2762 11.2762 11.4864 11.4864 13.5584 13.5584 14.4641 14.4641 14.7969 14.7969 14.9538 14.9538 k = 0.4848 0.3149-0.0000 ( 4062 PWs) bands (ev): -25.5812 -25.5812 -14.1971 -14.1971 -13.2610 -13.2610 -11.9816 -11.9816 -11.1723 -11.1723 -10.8187 -10.8187 -10.2894 -10.2894 -8.3584 -8.3584 -7.3320 -7.3320 -7.1679 -7.1679 -3.6322 -3.6322 -1.6434 -1.6434 -0.0028 -0.0028 0.7663 0.7663 1.1444 1.1444 1.3366 1.3366 1.9842 1.9842 3.1438 3.1438 3.2410 3.2410 3.9623 3.9623 4.3392 4.3392 4.7408 4.7408 4.8014 4.8014 5.3301 5.3301 5.3512 5.3512 5.4003 5.4003 5.6938 5.6938 5.8594 5.8594 11.2776 11.2776 11.4846 11.4846 13.5613 13.5613 14.4313 14.4313 14.7934 14.7934 14.9841 14.9841 k = 0.4773 0.3280-0.0000 ( 4072 PWs) bands (ev): -25.5812 -25.5812 -14.1924 -14.1924 -13.2668 -13.2668 -11.9828 -11.9828 -11.1699 -11.1699 -10.8197 -10.8197 -10.2906 -10.2906 -8.3584 -8.3584 -7.3322 -7.3322 -7.1680 -7.1680 -3.6198 -3.6198 -1.6562 -1.6562 0.0000 0.0000 0.7558 0.7558 1.1514 1.1514 1.3539 1.3539 1.9828 1.9828 3.1348 3.1348 3.2118 3.2118 3.9866 3.9866 4.3493 4.3493 4.7412 4.7412 4.8026 4.8026 5.3243 5.3243 5.3560 5.3560 5.3922 5.3922 5.6943 5.6943 5.8582 5.8582 11.2799 11.2799 11.4816 11.4816 13.5660 13.5660 14.3851 14.3851 14.7876 14.7876 15.0249 15.0249 k = 0.4697 0.3412-0.0000 ( 4076 PWs) bands (ev): -25.5812 -25.5812 -14.1857 -14.1857 -13.2748 -13.2748 -11.9844 -11.9844 -11.1666 -11.1666 -10.8212 -10.8212 -10.2922 -10.2922 -8.3584 -8.3584 -7.3326 -7.3326 -7.1683 -7.1683 -3.6025 -3.6025 -1.6739 -1.6739 0.0040 0.0040 0.7420 0.7420 1.1613 1.1613 1.3770 1.3770 1.9809 1.9809 3.1224 3.1224 3.1741 3.1741 4.0176 4.0176 4.3632 4.3632 4.7418 4.7418 4.8043 4.8043 5.3175 5.3175 5.3613 5.3613 5.3812 5.3812 5.6948 5.6948 5.8564 5.8564 11.2830 11.2830 11.4775 11.4775 13.5726 13.5726 14.3317 14.3317 14.7796 14.7796 15.0684 15.0684 k = 0.4621 0.3543-0.0000 ( 4068 PWs) bands (ev): -25.5812 -25.5812 -14.1772 -14.1772 -13.2851 -13.2851 -11.9864 -11.9864 -11.1624 -11.1624 -10.8231 -10.8231 -10.2943 -10.2943 -8.3585 -8.3585 -7.3330 -7.3330 -7.1686 -7.1686 -3.5804 -3.5804 -1.6964 -1.6964 0.0092 0.0092 0.7257 0.7257 1.1739 1.1739 1.4048 1.4048 1.9788 1.9788 3.1063 3.1063 3.1305 3.1305 4.0533 4.0533 4.3805 4.3805 4.7426 4.7426 4.8064 4.8064 5.3097 5.3097 5.3633 5.3633 5.3717 5.3717 5.6956 5.6956 5.8536 5.8536 11.2870 11.2870 11.4723 11.4723 13.5809 13.5809 14.2754 14.2754 14.7695 14.7695 15.1092 15.1092 k = 0.4545 0.3674-0.0000 ( 4068 PWs) bands (ev): -25.5812 -25.5812 -14.1668 -14.1668 -13.2977 -13.2977 -11.9887 -11.9887 -11.1573 -11.1573 -10.8255 -10.8255 -10.2969 -10.2969 -8.3585 -8.3585 -7.3336 -7.3336 -7.1689 -7.1689 -3.5536 -3.5536 -1.7236 -1.7236 0.0157 0.0157 0.7073 0.7073 1.1889 1.1889 1.4366 1.4366 1.9764 1.9764 3.0757 3.0757 3.0936 3.0936 4.0921 4.0921 4.4009 4.4009 4.7434 4.7434 4.8090 4.8090 5.3007 5.3007 5.3491 5.3491 5.3766 5.3766 5.6965 5.6965 5.8499 5.8499 11.2917 11.2917 11.4663 11.4663 13.5908 13.5908 14.2188 14.2188 14.7574 14.7574 15.1443 15.1443 k = 0.4470 0.3805-0.0000 ( 4072 PWs) bands (ev): -25.5812 -25.5812 -14.1545 -14.1545 -13.3124 -13.3124 -11.9914 -11.9914 -11.1512 -11.1512 -10.8283 -10.8283 -10.2998 -10.2998 -8.3586 -8.3586 -7.3343 -7.3343 -7.1692 -7.1692 -3.5223 -3.5223 -1.7554 -1.7554 0.0235 0.0235 0.6876 0.6876 1.2062 1.2062 1.4716 1.4716 1.9740 1.9740 3.0239 3.0239 3.0719 3.0719 4.1327 4.1327 4.4238 4.4238 4.7443 4.7443 4.8119 4.8119 5.2906 5.2906 5.3307 5.3307 5.3846 5.3846 5.6975 5.6975 5.8448 5.8448 11.2971 11.2971 11.4595 11.4595 13.6022 13.6022 14.1633 14.1633 14.7433 14.7433 15.1732 15.1732 k = 0.4394 0.3936-0.0000 ( 4082 PWs) bands (ev): -25.5812 -25.5812 -14.1404 -14.1404 -13.3293 -13.3293 -11.9942 -11.9942 -11.1443 -11.1443 -10.8317 -10.8317 -10.3031 -10.3031 -8.3587 -8.3587 -7.3351 -7.3351 -7.1695 -7.1695 -3.4865 -3.4865 -1.7914 -1.7914 0.0327 0.0327 0.6667 0.6667 1.2255 1.2255 1.5092 1.5092 1.9718 1.9718 2.9676 2.9676 3.0499 3.0499 4.1740 4.1740 4.4490 4.4490 4.7453 4.7453 4.8152 4.8152 5.2793 5.2793 5.3104 5.3104 5.3939 5.3939 5.6987 5.6987 5.8384 5.8384 11.3030 11.3030 11.4521 11.4521 13.6149 13.6149 14.1101 14.1101 14.7276 14.7276 15.1966 15.1966 k = 0.4318 0.4068-0.0000 ( 4080 PWs) bands (ev): -25.5811 -25.5811 -14.1244 -14.1244 -13.3484 -13.3484 -11.9973 -11.9973 -11.1365 -11.1365 -10.8355 -10.8355 -10.3067 -10.3067 -8.3588 -8.3588 -7.3359 -7.3359 -7.1698 -7.1698 -3.4464 -3.4464 -1.8316 -1.8316 0.0433 0.0433 0.6451 0.6451 1.2463 1.2463 1.5487 1.5487 1.9701 1.9701 2.9089 2.9089 3.0268 3.0268 4.2154 4.2154 4.4760 4.4760 4.7464 4.7464 4.8189 4.8189 5.2668 5.2668 5.2886 5.2886 5.4043 5.4043 5.7000 5.7000 5.8305 5.8305 11.3094 11.3094 11.4443 11.4443 13.6287 13.6287 14.0599 14.0599 14.7104 14.7104 15.2159 15.2159 k = 0.4242 0.4199-0.0000 ( 4084 PWs) bands (ev): -25.5811 -25.5811 -14.1065 -14.1065 -13.3695 -13.3695 -12.0005 -12.0005 -11.1278 -11.1278 -10.8400 -10.8400 -10.3106 -10.3106 -8.3590 -8.3590 -7.3368 -7.3368 -7.1701 -7.1701 -3.4022 -3.4022 -1.8756 -1.8756 0.0553 0.0553 0.6229 0.6229 1.2684 1.2684 1.5897 1.5897 1.9692 1.9692 2.8485 2.8485 3.0027 3.0027 4.2561 4.2561 4.5043 4.5043 4.7475 4.7475 4.8227 4.8227 5.2532 5.2532 5.2658 5.2658 5.4158 5.4158 5.7014 5.7014 5.8209 5.8209 11.3161 11.3161 11.4362 11.4362 13.6434 13.6434 14.0132 14.0132 14.6920 14.6920 15.2323 15.2323 k = 0.4167 0.4330-0.0000 ( 4104 PWs) bands (ev): -25.5811 -25.5811 -14.0869 -14.0869 -13.3926 -13.3926 -12.0038 -12.0038 -11.1182 -11.1182 -10.8451 -10.8451 -10.3146 -10.3146 -8.3591 -8.3591 -7.3378 -7.3378 -7.1703 -7.1703 -3.3541 -3.3541 -1.9233 -1.9233 0.0689 0.0689 0.6003 0.6003 1.2911 1.2911 1.6318 1.6318 1.9694 1.9694 2.7868 2.7868 2.9781 2.9781 4.2956 4.2956 4.5336 4.5336 4.7486 4.7486 4.8266 4.8266 5.2382 5.2382 5.2430 5.2430 5.4284 5.4284 5.7027 5.7027 5.8095 5.8095 11.3230 11.3230 11.4280 11.4280 13.6586 13.6586 13.9704 13.9704 14.6727 14.6727 15.2471 15.2471 k = 0.4091 0.4461-0.0000 ( 4100 PWs) bands (ev): -25.5811 -25.5811 -14.0653 -14.0653 -13.4177 -13.4177 -12.0070 -12.0070 -11.1079 -11.1079 -10.8509 -10.8509 -10.3188 -10.3188 -8.3593 -8.3593 -7.3389 -7.3389 -7.1704 -7.1704 -3.3023 -3.3023 -1.9745 -1.9745 0.0840 0.0840 0.5771 0.5771 1.3140 1.3140 1.6746 1.6746 1.9711 1.9711 2.7243 2.7243 2.9532 2.9532 4.3334 4.3334 4.5634 4.5634 4.7498 4.7498 4.8306 4.8306 5.2178 5.2178 5.2249 5.2249 5.4419 5.4419 5.7040 5.7040 5.7965 5.7965 11.3301 11.3301 11.4199 11.4199 13.6740 13.6740 13.9317 13.9317 14.6530 14.6530 15.2610 15.2610 k = 0.4015 0.4593-0.0000 ( 4100 PWs) bands (ev): -25.5811 -25.5811 -14.0420 -14.0420 -13.4446 -13.4446 -12.0102 -12.0102 -11.0967 -11.0967 -10.8575 -10.8575 -10.3229 -10.3229 -8.3595 -8.3595 -7.3399 -7.3399 -7.1706 -7.1706 -3.2470 -3.2470 -2.0289 -2.0289 0.1006 0.1006 0.5536 0.5536 1.3366 1.3366 1.7178 1.7178 1.9745 1.9745 2.6613 2.6613 2.9285 2.9285 4.3692 4.3692 4.5933 4.5933 4.7510 4.7510 4.8342 4.8342 5.1950 5.1950 5.2091 5.2091 5.4564 5.4564 5.7051 5.7051 5.7818 5.7818 11.3371 11.3371 11.4120 11.4120 13.6893 13.6893 13.8973 13.8973 14.6331 14.6331 15.2748 15.2748 k = 0.3939 0.4724-0.0000 ( 4112 PWs) bands (ev): -25.5810 -25.5810 -14.0169 -14.0169 -13.4733 -13.4733 -12.0132 -12.0132 -11.0847 -11.0847 -10.8649 -10.8649 -10.3269 -10.3269 -8.3598 -8.3598 -7.3410 -7.3410 -7.1707 -7.1707 -3.1884 -3.1884 -2.0863 -2.0863 0.1188 0.1188 0.5297 0.5297 1.3583 1.3583 1.7610 1.7610 1.9802 1.9802 2.5979 2.5979 2.9043 2.9043 4.4025 4.4025 4.6228 4.6228 4.7523 4.7523 4.8373 4.8373 5.1730 5.1730 5.1933 5.1933 5.4718 5.4718 5.7061 5.7061 5.7655 5.7655 11.3439 11.3439 11.4046 11.4046 13.7038 13.7038 13.8676 13.8676 14.6136 14.6136 15.2889 15.2889 k = 0.3864 0.4855-0.0000 ( 4112 PWs) bands (ev): -25.5810 -25.5810 -13.9900 -13.9900 -13.5037 -13.5037 -12.0161 -12.0161 -11.0720 -11.0720 -10.8734 -10.8734 -10.3307 -10.3307 -8.3600 -8.3600 -7.3420 -7.3420 -7.1707 -7.1707 -3.1268 -3.1268 -2.1466 -2.1466 0.1385 0.1385 0.5053 0.5053 1.3785 1.3785 1.8040 1.8040 1.9885 1.9885 2.5346 2.5346 2.8810 2.8810 4.4329 4.4329 4.6516 4.6516 4.7537 4.7537 4.8395 4.8395 5.1526 5.1526 5.1777 5.1777 5.4879 5.4879 5.7068 5.7068 5.7480 5.7480 11.3505 11.3505 11.3977 11.3977 13.7169 13.7169 13.8428 13.8428 14.5950 14.5950 15.3037 15.3037 k = 0.3788 0.4986-0.0000 ( 4110 PWs) bands (ev): -25.5810 -25.5810 -13.9614 -13.9614 -13.5356 -13.5356 -12.0187 -12.0187 -11.0586 -11.0586 -10.8828 -10.8828 -10.3342 -10.3342 -8.3602 -8.3602 -7.3430 -7.3430 -7.1707 -7.1707 -3.0624 -3.0624 -2.2094 -2.2094 0.1597 0.1597 0.4803 0.4803 1.3967 1.3967 1.8465 1.8465 1.9995 1.9995 2.4714 2.4714 2.8592 2.8592 4.4601 4.4601 4.6793 4.6793 4.7551 4.7551 4.8404 4.8404 5.1346 5.1346 5.1625 5.1625 5.5047 5.5047 5.7068 5.7068 5.7296 5.7296 11.3565 11.3565 11.3916 11.3916 13.7278 13.7278 13.8231 13.8231 14.5777 14.5777 15.3194 15.3194 k = 0.3712 0.5117-0.0000 ( 4108 PWs) bands (ev): -25.5810 -25.5810 -13.9311 -13.9311 -13.5690 -13.5690 -12.0210 -12.0210 -11.0445 -11.0445 -10.8934 -10.8934 -10.3374 -10.3374 -8.3605 -8.3605 -7.3439 -7.3439 -7.1707 -7.1707 -2.9955 -2.9955 -2.2747 -2.2747 0.1824 0.1824 0.4549 0.4549 1.4124 1.4124 1.8881 1.8881 2.0136 2.0136 2.4085 2.4085 2.8392 2.8392 4.4837 4.4837 4.7052 4.7052 4.7565 4.7565 4.8393 4.8393 5.1197 5.1197 5.1482 5.1482 5.5220 5.5220 5.7030 5.7030 5.7139 5.7139 11.3619 11.3619 11.3862 11.3862 13.7356 13.7356 13.8092 13.8092 14.5622 14.5622 15.3362 15.3362 k = 0.3636 0.5249-0.0000 ( 4100 PWs) bands (ev): -25.5809 -25.5809 -13.8990 -13.8990 -13.6038 -13.6038 -12.0229 -12.0229 -11.0297 -11.0297 -10.9051 -10.9051 -10.3400 -10.3400 -8.3607 -8.3607 -7.3447 -7.3447 -7.1707 -7.1707 -2.9263 -2.9263 -2.3423 -2.3423 0.2065 0.2065 0.4288 0.4288 1.4254 1.4254 1.9286 1.9286 2.0307 2.0307 2.3462 2.3462 2.8215 2.8215 4.5034 4.5034 4.7290 4.7290 4.7581 4.7581 4.8360 4.8360 5.1085 5.1085 5.1351 5.1351 5.5396 5.5396 5.6867 5.6867 5.7099 5.7099 11.3665 11.3665 11.3819 11.3819 13.7396 13.7396 13.8010 13.8010 14.5491 14.5491 15.3541 15.3541 k = 0.3561 0.5380-0.0000 ( 4100 PWs) bands (ev): -25.5809 -25.5809 -13.8652 -13.8652 -13.6398 -13.6398 -12.0245 -12.0245 -11.0142 -11.0142 -10.9181 -10.9181 -10.3421 -10.3421 -8.3609 -8.3609 -7.3453 -7.3453 -7.1707 -7.1707 -2.8551 -2.8551 -2.4120 -2.4120 0.2318 0.2318 0.4022 0.4022 1.4355 1.4355 1.9676 1.9676 2.0506 2.0506 2.2848 2.2848 2.8067 2.8067 4.5190 4.5190 4.7495 4.7495 4.7604 4.7604 4.8303 4.8303 5.1013 5.1013 5.1237 5.1237 5.5575 5.5575 5.6669 5.6669 5.7091 5.7091 11.3701 11.3701 11.3786 11.3786 13.7405 13.7405 13.7975 13.7975 14.5386 14.5386 15.3730 15.3730 k = 0.3485 0.5511-0.0000 ( 4108 PWs) bands (ev): -25.5809 -25.5809 -13.8299 -13.8299 -13.6769 -13.6769 -12.0257 -12.0257 -10.9982 -10.9982 -10.9323 -10.9323 -10.3437 -10.3437 -8.3611 -8.3611 -7.3458 -7.3458 -7.1707 -7.1707 -2.7822 -2.7822 -2.4836 -2.4836 0.2581 0.2581 0.3751 0.3751 1.4426 1.4426 2.0043 2.0043 2.0729 2.0729 2.2248 2.2248 2.7954 2.7954 4.5303 4.5303 4.7585 4.7585 4.7714 4.7714 4.8221 4.8221 5.0980 5.0980 5.1142 5.1142 5.5754 5.5754 5.6472 5.6472 5.7085 5.7085 11.3725 11.3725 11.3766 11.3766 13.7399 13.7399 13.7965 13.7965 14.5310 14.5310 15.3926 15.3926 k = 0.3409 0.5642-0.0000 ( 4120 PWs) bands (ev): -25.5809 -25.5809 -13.7929 -13.7929 -13.7150 -13.7150 -12.0264 -12.0264 -10.9816 -10.9816 -10.9477 -10.9477 -10.3446 -10.3446 -8.3612 -8.3612 -7.3461 -7.3461 -7.1707 -7.1707 -2.7079 -2.7079 -2.5571 -2.5571 0.2848 0.2848 0.3481 0.3481 1.4467 1.4467 2.0371 2.0371 2.0970 2.0970 2.1678 2.1678 2.7881 2.7881 4.5370 4.5370 4.7599 4.7599 4.7869 4.7869 4.8119 4.8119 5.0981 5.0981 5.1068 5.1068 5.5928 5.5928 5.6284 5.6284 5.7080 5.7080 11.3732 11.3732 11.3761 11.3761 13.7393 13.7393 13.7963 13.7963 14.5265 14.5265 15.4110 15.4110 k = 0.3333 0.5774-0.0000 ( 4116 PWs) bands (ev): -25.5809 -25.5809 -13.7571 -13.7571 -13.7512 -13.7512 -12.0266 -12.0266 -10.9654 -10.9654 -10.9636 -10.9636 -10.3449 -10.3449 -8.3612 -8.3612 -7.3462 -7.3462 -7.1707 -7.1707 -2.6357 -2.6357 -2.6289 -2.6289 0.3036 0.3036 0.3291 0.3291 1.4480 1.4480 2.0560 2.0560 2.1177 2.1177 2.1283 2.1283 2.7856 2.7856 4.5393 4.5393 4.7603 4.7603 4.7997 4.7997 4.8008 4.8008 5.1000 5.1000 5.1027 5.1027 5.6064 5.6064 5.6144 5.6144 5.7077 5.7077 11.3733 11.3733 11.3761 11.3761 13.7392 13.7392 13.7961 13.7961 14.5251 14.5251 15.4208 15.4208 k = 0.3333 0.5774-0.0000 ( 4116 PWs) bands (ev): -25.5809 -25.5809 -13.7571 -13.7571 -13.7512 -13.7512 -12.0266 -12.0266 -10.9654 -10.9654 -10.9636 -10.9636 -10.3449 -10.3449 -8.3612 -8.3612 -7.3462 -7.3462 -7.1707 -7.1707 -2.6357 -2.6357 -2.6289 -2.6289 0.3036 0.3036 0.3291 0.3291 1.4480 1.4480 2.0560 2.0560 2.1177 2.1177 2.1283 2.1283 2.7856 2.7856 4.5393 4.5393 4.7603 4.7603 4.7997 4.7997 4.8008 4.8008 5.1000 5.1000 5.1027 5.1027 5.6064 5.6064 5.6144 5.6144 5.7077 5.7077 11.3733 11.3733 11.3761 11.3761 13.7392 13.7392 13.7961 13.7961 14.5251 14.5251 15.4208 15.4208 k = 0.3258 0.5642-0.0000 ( 4120 PWs) bands (ev): -25.5809 -25.5809 -13.7940 -13.7940 -13.7139 -13.7139 -12.0264 -12.0264 -10.9825 -10.9825 -10.9469 -10.9469 -10.3446 -10.3446 -8.3612 -8.3612 -7.3461 -7.3461 -7.1707 -7.1707 -2.7092 -2.7092 -2.5559 -2.5559 0.2840 0.2840 0.3488 0.3488 1.4467 1.4467 2.0276 2.0276 2.1238 2.1238 2.1502 2.1502 2.7883 2.7883 4.5371 4.5371 4.7599 4.7599 4.7877 4.7877 4.8114 4.8114 5.0978 5.0978 5.1067 5.1067 5.5943 5.5943 5.6268 5.6268 5.7082 5.7082 11.3728 11.3728 11.3765 11.3765 13.7389 13.7389 13.7967 13.7967 14.5264 14.5264 15.4096 15.4096 k = 0.3182 0.5511-0.0000 ( 4110 PWs) bands (ev): -25.5809 -25.5809 -13.8344 -13.8344 -13.6722 -13.6722 -12.0256 -12.0256 -11.0016 -11.0016 -10.9289 -10.9289 -10.3438 -10.3438 -8.3610 -8.3610 -7.3457 -7.3457 -7.1707 -7.1707 -2.7874 -2.7874 -2.4789 -2.4789 0.2548 0.2548 0.3780 0.3780 1.4431 1.4431 1.9755 1.9755 2.1481 2.1481 2.1763 2.1763 2.7969 2.7969 4.5305 4.5305 4.7587 4.7587 4.7748 4.7748 4.8209 4.8209 5.0960 5.0960 5.1131 5.1131 5.5816 5.5816 5.6403 5.6403 5.7103 5.7103 11.3704 11.3704 11.3782 11.3782 13.7369 13.7369 13.7995 13.7995 14.5303 14.5303 15.3855 15.3855 k = 0.3106 0.5380-0.0000 ( 4102 PWs) bands (ev): -25.5809 -25.5809 -13.8753 -13.8753 -13.6290 -13.6290 -12.0243 -12.0243 -11.0218 -11.0218 -10.9105 -10.9105 -10.3424 -10.3424 -8.3608 -8.3608 -7.3451 -7.3451 -7.1707 -7.1707 -2.8670 -2.8670 -2.4017 -2.4017 0.2241 0.2241 0.4086 0.4086 1.4373 1.4373 1.9205 1.9205 2.1738 2.1738 2.2018 2.2018 2.8118 2.8118 4.5197 4.5197 4.7567 4.7567 4.7622 4.7622 4.8294 4.8294 5.0950 5.0950 5.1204 5.1204 5.5715 5.5715 5.6504 5.6504 5.7152 5.7152 11.3661 11.3661 11.3814 11.3814 13.7320 13.7320 13.8060 13.8060 14.5361 14.5361 15.3565 15.3565 k = 0.3030 0.5249-0.0000 ( 4102 PWs) bands (ev): -25.5810 -25.5810 -13.9166 -13.9166 -13.5844 -13.5844 -12.0225 -12.0225 -11.0431 -11.0431 -10.8917 -10.8917 -10.3406 -10.3406 -8.3604 -8.3604 -7.3443 -7.3443 -7.1706 -7.1706 -2.9478 -2.9478 -2.3244 -2.3244 0.1926 0.1926 0.4398 0.4398 1.4295 1.4295 1.8655 1.8655 2.1982 2.1982 2.2262 2.2262 2.8331 2.8331 4.5049 4.5049 4.7498 4.7498 4.7542 4.7542 4.8373 4.8373 5.0939 5.0939 5.1280 5.1280 5.5645 5.5645 5.6561 5.6561 5.7239 5.7239 11.3599 11.3599 11.3856 11.3856 13.7240 13.7240 13.8166 13.8166 14.5435 14.5435 15.3247 15.3247 k = 0.2955 0.5117-0.0000 ( 4102 PWs) bands (ev): -25.5810 -25.5810 -13.9582 -13.9582 -13.5384 -13.5384 -12.0202 -12.0202 -11.0653 -11.0653 -10.8726 -10.8726 -10.3384 -10.3384 -8.3598 -8.3598 -7.3432 -7.3432 -7.1706 -7.1706 -3.0299 -3.0299 -2.2475 -2.2475 0.1605 0.1605 0.4711 0.4711 1.4199 1.4199 1.8113 1.8113 2.2206 2.2206 2.2493 2.2493 2.8608 2.8608 4.4865 4.4865 4.7387 4.7387 4.7512 4.7512 4.8453 4.8453 5.0922 5.0922 5.1358 5.1358 5.5605 5.5605 5.6578 5.6578 5.7358 5.7358 11.3517 11.3517 11.3908 11.3908 13.7136 13.7136 13.8309 13.8309 14.5519 14.5519 15.2909 15.2909 k = 0.2879 0.4986-0.0000 ( 4106 PWs) bands (ev): -25.5810 -25.5810 -13.9999 -13.9999 -13.4910 -13.4910 -12.0173 -12.0173 -11.0883 -11.0883 -10.8533 -10.8533 -10.3359 -10.3359 -8.3591 -8.3591 -7.3418 -7.3418 -7.1704 -7.1704 -3.1130 -3.1130 -2.1710 -2.1710 0.1279 0.1279 0.5024 0.5024 1.4087 1.4087 1.7579 1.7579 2.2407 2.2407 2.2713 2.2713 2.8947 2.8947 4.4647 4.4647 4.7288 4.7288 4.7480 4.7480 4.8536 4.8536 5.0891 5.0891 5.1435 5.1435 5.5596 5.5596 5.6565 5.6565 5.7498 5.7498 11.3415 11.3415 11.3968 11.3968 13.7016 13.7016 13.8482 13.8482 14.5607 14.5607 15.2556 15.2556 k = 0.2803 0.4855-0.0000 ( 4094 PWs) bands (ev): -25.5810 -25.5810 -14.0417 -14.0417 -13.4423 -13.4423 -12.0139 -12.0139 -11.1120 -11.1120 -10.8338 -10.8338 -10.3332 -10.3332 -8.3582 -8.3582 -7.3400 -7.3400 -7.1702 -7.1702 -3.1971 -3.1971 -2.0954 -2.0954 0.0950 0.0950 0.5333 0.5333 1.3960 1.3960 1.7057 1.7057 2.2579 2.2579 2.2927 2.2927 2.9344 2.9344 4.4400 4.4400 4.7206 4.7206 4.7452 4.7452 4.8625 4.8625 5.0842 5.0842 5.1512 5.1512 5.5615 5.5615 5.6533 5.6533 5.7647 5.7647 11.3291 11.3291 11.4037 11.4037 13.6890 13.6890 13.8681 13.8681 14.5696 14.5696 15.2192 15.2192 k = 0.2727 0.4724-0.0000 ( 4090 PWs) bands (ev): -25.5811 -25.5811 -14.0835 -14.0835 -13.3924 -13.3924 -12.0100 -12.0100 -11.1364 -11.1364 -10.8141 -10.8141 -10.3304 -10.3304 -8.3571 -8.3571 -7.3381 -7.3381 -7.1700 -7.1700 -3.2821 -3.2821 -2.0209 -2.0209 0.0618 0.0618 0.5637 0.5637 1.3820 1.3820 1.6546 1.6546 2.2716 2.2716 2.3146 2.3146 2.9794 2.9794 4.4129 4.4129 4.7144 4.7144 4.7430 4.7430 4.8719 4.8719 5.0771 5.0771 5.1590 5.1590 5.5658 5.5658 5.6488 5.6488 5.7799 5.7799 11.3144 11.3144 11.4112 11.4112 13.6765 13.6765 13.8899 13.8899 14.5781 14.5781 15.1818 15.1818 k = 0.2652 0.4593-0.0000 ( 4094 PWs) bands (ev): -25.5811 -25.5811 -14.1251 -14.1251 -13.3413 -13.3413 -12.0056 -12.0056 -11.1613 -11.1613 -10.7944 -10.7944 -10.3275 -10.3275 -8.3558 -8.3558 -7.3358 -7.3358 -7.1696 -7.1696 -3.3679 -3.3679 -1.9478 -1.9478 0.0286 0.0286 0.5932 0.5932 1.3667 1.3667 1.6046 1.6046 2.2810 2.2810 2.3379 2.3379 3.0292 3.0292 4.3838 4.3838 4.7105 4.7105 4.7417 4.7417 4.8820 4.8820 5.0674 5.0674 5.1667 5.1667 5.5720 5.5720 5.6434 5.6434 5.7947 5.7947 11.2973 11.2973 11.4192 11.4192 13.6645 13.6645 13.9135 13.9135 14.5858 14.5858 15.1437 15.1437 k = 0.2576 0.4461-0.0000 ( 4082 PWs) bands (ev): -25.5812 -25.5812 -14.1665 -14.1665 -13.2891 -13.2891 -12.0006 -12.0006 -11.1865 -11.1865 -10.7746 -10.7746 -10.3248 -10.3248 -8.3542 -8.3542 -7.3332 -7.3332 -7.1691 -7.1691 -3.4544 -3.4544 -1.8762 -1.8762 -0.0045 -0.0045 0.6216 0.6216 1.3505 1.3505 1.5559 1.5559 2.2860 2.2860 2.3633 2.3633 3.0833 3.0833 4.3534 4.3534 4.7089 4.7089 4.7416 4.7416 4.8928 4.8928 5.0550 5.0550 5.1746 5.1746 5.5799 5.5799 5.6373 5.6373 5.8091 5.8091 11.2777 11.2777 11.4276 11.4276 13.6536 13.6536 13.9383 13.9383 14.5927 14.5927 15.1050 15.1050 k = 0.2500 0.4330-0.0000 ( 4082 PWs) bands (ev): -25.5813 -25.5813 -14.2075 -14.2075 -13.2359 -13.2359 -11.9952 -11.9952 -11.2121 -11.2121 -10.7548 -10.7548 -10.3221 -10.3221 -8.3525 -8.3525 -7.3303 -7.3303 -7.1685 -7.1685 -3.5414 -3.5414 -1.8064 -1.8064 -0.0373 -0.0373 0.6486 0.6486 1.3332 1.3332 1.5083 1.5083 2.2862 2.2862 2.3913 2.3913 3.1412 3.1412 4.3224 4.3224 4.7098 4.7098 4.7428 4.7428 4.9042 4.9042 5.0398 5.0398 5.1827 5.1827 5.5889 5.5889 5.6305 5.6305 5.8227 5.8227 11.2554 11.2554 11.4362 11.4362 13.6442 13.6442 13.9642 13.9642 14.5985 14.5985 15.0660 15.0660 k = 0.2424 0.4199-0.0000 ( 4088 PWs) bands (ev): -25.5813 -25.5813 -14.2481 -14.2481 -13.1816 -13.1816 -11.9893 -11.9893 -11.2379 -11.2379 -10.7351 -10.7351 -10.3197 -10.3197 -8.3504 -8.3504 -7.3271 -7.3271 -7.1678 -7.1678 -3.6290 -3.6290 -1.7386 -1.7386 -0.0698 -0.0698 0.6739 0.6739 1.3152 1.3152 1.4621 1.4621 2.2817 2.2817 2.4222 2.4222 3.2025 3.2025 4.2914 4.2914 4.7133 4.7133 4.7454 4.7454 4.9163 4.9163 5.0217 5.0217 5.1909 5.1909 5.5987 5.5987 5.6231 5.6231 5.8354 5.8354 11.2303 11.2303 11.4450 11.4450 13.6367 13.6367 13.9909 13.9909 14.6030 14.6030 15.0267 15.0267 k = 0.2348 0.4068-0.0000 ( 4092 PWs) bands (ev): -25.5814 -25.5814 -14.2882 -14.2882 -13.1265 -13.1265 -11.9829 -11.9829 -11.2637 -11.2637 -10.7155 -10.7155 -10.3176 -10.3176 -8.3482 -8.3482 -7.3236 -7.3236 -7.1670 -7.1670 -3.7170 -3.7170 -1.6729 -1.6729 -0.1017 -0.1017 0.6975 0.6975 1.2965 1.2965 1.4172 1.4172 2.2723 2.2723 2.4563 2.4563 3.2668 3.2668 4.2610 4.2610 4.7193 4.7193 4.7496 4.7496 4.9289 4.9289 5.0009 5.0009 5.1994 5.1994 5.6084 5.6084 5.6158 5.6158 5.8470 5.8470 11.2023 11.2023 11.4538 11.4538 13.6314 13.6314 14.0180 14.0180 14.6063 14.6063 14.9873 14.9873 k = 0.2273 0.3936-0.0000 ( 4092 PWs) bands (ev): -25.5815 -25.5815 -14.3277 -14.3277 -13.0706 -13.0706 -11.9761 -11.9761 -11.2896 -11.2896 -10.6961 -10.6961 -10.3158 -10.3158 -8.3456 -8.3456 -7.3198 -7.3198 -7.1660 -7.1660 -3.8052 -3.8052 -1.6095 -1.6095 -0.1328 -0.1328 0.7189 0.7189 1.2772 1.2772 1.3737 1.3737 2.2579 2.2579 2.4938 2.4938 3.3339 3.3339 4.2318 4.2318 4.7278 4.7278 4.7552 4.7552 4.9420 4.9420 4.9774 4.9774 5.2080 5.2080 5.6058 5.6058 5.6203 5.6203 5.8575 5.8575 11.1713 11.1713 11.4625 11.4625 13.6286 13.6286 14.0454 14.0454 14.6083 14.6083 14.9479 14.9479 k = 0.2197 0.3805-0.0000 ( 4094 PWs) bands (ev): -25.5816 -25.5816 -14.3666 -14.3666 -13.0140 -13.0140 -11.9689 -11.9689 -11.3154 -11.3154 -10.6770 -10.6770 -10.3145 -10.3145 -8.3428 -8.3428 -7.3158 -7.3158 -7.1648 -7.1648 -3.8935 -3.8935 -1.5486 -1.5486 -0.1631 -0.1631 0.7382 0.7382 1.2572 1.2572 1.3318 1.3318 2.2387 2.2387 2.5348 2.5348 3.4035 3.4035 4.2043 4.2043 4.7386 4.7386 4.7622 4.7622 4.9513 4.9513 4.9559 4.9559 5.2167 5.2167 5.5969 5.5969 5.6306 5.6306 5.8668 5.8668 11.1373 11.1373 11.4709 11.4709 13.6284 13.6284 14.0729 14.0729 14.6091 14.6091 14.9087 14.9087 k = 0.2121 0.3674-0.0000 ( 4092 PWs) bands (ev): -25.5817 -25.5817 -14.4047 -14.4047 -12.9567 -12.9567 -11.9613 -11.9613 -11.3410 -11.3410 -10.6581 -10.6581 -10.3135 -10.3135 -8.3398 -8.3398 -7.3115 -7.3115 -7.1635 -7.1635 -3.9818 -3.9818 -1.4902 -1.4902 -0.1923 -0.1923 0.7552 0.7552 1.2363 1.2363 1.2921 1.2921 2.2146 2.2146 2.5795 2.5795 3.4755 3.4755 4.1789 4.1789 4.7516 4.7516 4.7703 4.7703 4.9237 4.9237 4.9698 4.9698 5.2256 5.2256 5.5873 5.5873 5.6409 5.6409 5.8747 5.8747 11.1002 11.1002 11.4790 11.4790 13.6309 13.6309 14.1001 14.1001 14.6087 14.6087 14.8697 14.8697 k = 0.2045 0.3543-0.0000 ( 4084 PWs) bands (ev): -25.5818 -25.5818 -14.4420 -14.4420 -12.8989 -12.8989 -11.9534 -11.9534 -11.3663 -11.3663 -10.6396 -10.6396 -10.3131 -10.3131 -8.3364 -8.3364 -7.3069 -7.3069 -7.1620 -7.1620 -4.0700 -4.0700 -1.4344 -1.4344 -0.2203 -0.2203 0.7697 0.7697 1.2135 1.2135 1.2555 1.2555 2.1859 2.1859 2.6278 2.6278 3.5495 3.5495 4.1559 4.1559 4.7663 4.7663 4.7790 4.7790 4.8948 4.8948 4.9842 4.9842 5.2346 5.2346 5.5771 5.5771 5.6508 5.6508 5.8812 5.8812 11.0600 11.0600 11.4866 11.4866 13.6362 13.6362 14.1269 14.1269 14.6073 14.6073 14.8311 14.8311 k = 0.1970 0.3412-0.0000 ( 4084 PWs) bands (ev): -25.5819 -25.5819 -14.4784 -14.4784 -12.8407 -12.8407 -11.9451 -11.9451 -11.3913 -11.3913 -10.6215 -10.6215 -10.3132 -10.3132 -8.3329 -8.3329 -7.3020 -7.3020 -7.1603 -7.1603 -4.1579 -4.1579 -1.3814 -1.3814 -0.2470 -0.2470 0.7818 0.7818 1.1871 1.1871 1.2241 1.2241 2.1526 2.1526 2.6795 2.6795 3.6255 3.6255 4.1354 4.1354 4.7799 4.7799 4.7889 4.7889 4.8672 4.8672 4.9990 4.9990 5.2435 5.2435 5.5664 5.5664 5.6601 5.6601 5.8862 5.8862 11.0167 11.0167 11.4936 11.4936 13.6442 13.6442 14.1532 14.1532 14.6049 14.6049 14.7931 14.7931 k = 0.1894 0.3280-0.0000 ( 4080 PWs) bands (ev): -25.5820 -25.5820 -14.5139 -14.5139 -12.7822 -12.7822 -11.9365 -11.9365 -11.4159 -11.4159 -10.6039 -10.6039 -10.3137 -10.3137 -8.3291 -8.3291 -7.2970 -7.2970 -7.1585 -7.1585 -4.2453 -4.2453 -1.3310 -1.3310 -0.2723 -0.2723 0.7914 0.7914 1.1563 1.1563 1.1989 1.1989 2.1150 2.1150 2.7346 2.7346 3.7032 3.7032 4.1177 4.1177 4.7798 4.7798 4.8054 4.8054 4.8476 4.8476 5.0139 5.0139 5.2525 5.2525 5.5552 5.5552 5.6688 5.6688 5.8898 5.8898 10.9705 10.9705 11.4999 11.4999 13.6548 13.6548 14.1788 14.1788 14.6016 14.6016 14.7559 14.7559 k = 0.1818 0.3149-0.0000 ( 4082 PWs) bands (ev): -25.5821 -25.5821 -14.5484 -14.5484 -12.7235 -12.7235 -11.9277 -11.9277 -11.4400 -11.4400 -10.5868 -10.5868 -10.3149 -10.3149 -8.3251 -8.3251 -7.2917 -7.2917 -7.1566 -7.1566 -4.3320 -4.3320 -1.2834 -1.2834 -0.2960 -0.2960 0.7986 0.7986 1.1230 1.1230 1.1780 1.1780 2.0736 2.0736 2.7929 2.7929 3.7825 3.7825 4.1028 4.1028 4.7601 4.7601 4.8256 4.8256 4.8451 4.8451 5.0290 5.0290 5.2614 5.2614 5.5436 5.5436 5.6767 5.6767 5.8919 5.8919 10.9214 10.9214 11.5055 11.5055 13.6679 13.6679 14.2035 14.2035 14.5975 14.5975 14.7198 14.7198 k = 0.1742 0.3018-0.0000 ( 4076 PWs) bands (ev): -25.5822 -25.5822 -14.5818 -14.5818 -12.6649 -12.6649 -11.9187 -11.9187 -11.4636 -11.4636 -10.5703 -10.5703 -10.3165 -10.3165 -8.3209 -8.3209 -7.2863 -7.2863 -7.1545 -7.1545 -4.4179 -4.4179 -1.2386 -1.2386 -0.3181 -0.3181 0.8035 0.8035 1.0893 1.0893 1.1597 1.1597 2.0286 2.0286 2.8539 2.8539 3.8632 3.8632 4.0906 4.0906 4.7279 4.7279 4.8464 4.8464 4.8552 4.8552 5.0442 5.0442 5.2703 5.2703 5.5316 5.5316 5.6838 5.6838 5.8924 5.8924 10.8695 10.8695 11.5103 11.5103 13.6831 13.6831 14.2272 14.2272 14.5925 14.5925 14.6852 14.6852 k = 0.1667 0.2887-0.0000 ( 4084 PWs) bands (ev): -25.5823 -25.5823 -14.6142 -14.6142 -12.6063 -12.6063 -11.9094 -11.9094 -11.4866 -11.4866 -10.5544 -10.5544 -10.3186 -10.3186 -8.3165 -8.3165 -7.2807 -7.2807 -7.1523 -7.1523 -4.5027 -4.5027 -1.1964 -1.1964 -0.3384 -0.3384 0.8061 0.8061 1.0563 1.0563 1.1431 1.1431 1.9805 1.9805 2.9175 2.9175 3.9450 3.9450 4.0810 4.0810 4.6907 4.6907 4.8638 4.8638 4.8746 4.8746 5.0593 5.0593 5.2790 5.2790 5.5194 5.5194 5.6898 5.6898 5.8913 5.8913 10.8151 10.8151 11.5142 11.5142 13.7001 13.7001 14.2499 14.2499 14.5861 14.5861 14.6529 14.6529 k = 0.1591 0.2756-0.0000 ( 4076 PWs) bands (ev): -25.5824 -25.5824 -14.6454 -14.6454 -12.5480 -12.5480 -11.9001 -11.9001 -11.5089 -11.5089 -10.5392 -10.5392 -10.3213 -10.3213 -8.3120 -8.3120 -7.2750 -7.2750 -7.1499 -7.1499 -4.5864 -4.5864 -1.1570 -1.1570 -0.3569 -0.3569 0.8065 0.8065 1.0242 1.0242 1.1280 1.1280 1.9298 1.9298 2.9833 2.9833 4.0277 4.0277 4.0740 4.0740 4.6511 4.6511 4.8792 4.8792 4.8990 4.8990 5.0744 5.0744 5.2875 5.2875 5.5071 5.5071 5.6949 5.6949 5.8887 5.8887 10.7585 10.7585 11.5173 11.5173 13.7185 13.7185 14.2714 14.2714 14.5769 14.5769 14.6246 14.6246 k = 0.1515 0.2624-0.0000 ( 4064 PWs) bands (ev): -25.5825 -25.5825 -14.6755 -14.6755 -12.4901 -12.4901 -11.8906 -11.8906 -11.5305 -11.5305 -10.5247 -10.5247 -10.3243 -10.3243 -8.3073 -8.3073 -7.2693 -7.2693 -7.1474 -7.1474 -4.6685 -4.6685 -1.1203 -1.1203 -0.3736 -0.3736 0.8048 0.8048 0.9933 0.9933 1.1144 1.1144 1.8770 1.8770 3.0509 3.0509 4.0686 4.0686 4.1117 4.1117 4.6103 4.6103 4.8947 4.8947 4.9250 4.9250 5.0894 5.0894 5.2958 5.2958 5.4947 5.4947 5.6990 5.6990 5.8846 5.8846 10.6997 10.6997 11.5195 11.5195 13.7378 13.7378 14.2918 14.2918 14.5616 14.5616 14.6040 14.6040 k = 0.1439 0.2493-0.0000 ( 4064 PWs) bands (ev): -25.5827 -25.5827 -14.7043 -14.7043 -12.4329 -12.4329 -11.8811 -11.8811 -11.5514 -11.5514 -10.5110 -10.5110 -10.3278 -10.3278 -8.3026 -8.3026 -7.2635 -7.2635 -7.1448 -7.1448 -4.7490 -4.7490 -1.0861 -1.0861 -0.3884 -0.3884 0.8011 0.8011 0.9637 0.9637 1.1024 1.1024 1.8224 1.8224 3.1200 3.1200 4.0660 4.0660 4.1953 4.1953 4.5689 4.5689 4.9100 4.9100 4.9522 4.9522 5.1042 5.1042 5.3039 5.3039 5.4826 5.4826 5.7019 5.7019 5.8790 5.8790 10.6392 10.6392 11.5208 11.5208 13.7575 13.7575 14.3110 14.3110 14.5396 14.5396 14.5921 14.5921 k = 0.1364 0.2362-0.0000 ( 4064 PWs) bands (ev): -25.5828 -25.5828 -14.7318 -14.7318 -12.3764 -12.3764 -11.8716 -11.8716 -11.5714 -11.5714 -10.4981 -10.4981 -10.3317 -10.3317 -8.2979 -8.2979 -7.2576 -7.2576 -7.1422 -7.1422 -4.8275 -4.8275 -1.0546 -1.0546 -0.4013 -0.4013 0.7957 0.7957 0.9355 0.9355 1.0919 1.0919 1.7667 1.7667 3.1901 3.1901 4.0650 4.0650 4.2787 4.2787 4.5277 4.5277 4.9246 4.9246 4.9801 4.9801 5.1190 5.1190 5.3117 5.3117 5.4708 5.4708 5.7036 5.7036 5.8718 5.8718 10.5772 10.5772 11.5213 11.5213 13.7769 13.7769 14.3288 14.3288 14.5150 14.5150 14.5850 14.5850 k = 0.1288 0.2231-0.0000 ( 4068 PWs) bands (ev): -25.5829 -25.5829 -14.7581 -14.7581 -12.3210 -12.3210 -11.8621 -11.8621 -11.5906 -11.5906 -10.4860 -10.4860 -10.3358 -10.3358 -8.2931 -8.2931 -7.2519 -7.2519 -7.1395 -7.1395 -4.9039 -4.9039 -1.0254 -1.0254 -0.4123 -0.4123 0.7888 0.7888 0.9088 0.9088 1.0830 1.0830 1.7102 1.7102 3.2608 3.2608 4.0655 4.0655 4.3597 4.3597 4.4889 4.4889 4.9381 4.9381 5.0086 5.0086 5.1337 5.1337 5.3193 5.3193 5.4596 5.4596 5.7042 5.7042 5.8631 5.8631 10.5142 10.5142 11.5209 11.5209 13.7956 13.7956 14.3453 14.3453 14.4910 14.4910 14.5798 14.5798 k = 0.1212 0.2099-0.0000 ( 4062 PWs) bands (ev): -25.5830 -25.5830 -14.7830 -14.7830 -12.2668 -12.2668 -11.8527 -11.8527 -11.6089 -11.6089 -10.4749 -10.4749 -10.3402 -10.3402 -8.2883 -8.2883 -7.2462 -7.2462 -7.1367 -7.1367 -4.9778 -4.9778 -0.9987 -0.9987 -0.4215 -0.4215 0.7804 0.7804 0.8837 0.8837 1.0757 1.0757 1.6536 1.6536 3.3319 3.3319 4.0675 4.0675 4.4151 4.4151 4.4755 4.4755 4.9499 4.9499 5.0376 5.0376 5.1485 5.1485 5.3265 5.3265 5.4493 5.4493 5.7036 5.7036 5.8530 5.8530 10.4505 10.4505 11.5198 11.5198 13.8130 13.8130 14.3601 14.3601 14.4689 14.4689 14.5755 14.5755 k = 0.1136 0.1968-0.0000 ( 4054 PWs) bands (ev): -25.5831 -25.5831 -14.8066 -14.8066 -12.2140 -12.2140 -11.8435 -11.8435 -11.6262 -11.6262 -10.4646 -10.4646 -10.3448 -10.3448 -8.2836 -8.2836 -7.2406 -7.2406 -7.1339 -7.1339 -5.0491 -5.0491 -0.9743 -0.9743 -0.4290 -0.4290 0.7709 0.7709 0.8601 0.8601 1.0699 1.0699 1.5973 1.5973 3.4028 3.4028 4.0705 4.0705 4.3919 4.3919 4.5406 4.5406 4.9594 4.9594 5.0669 5.0669 5.1636 5.1636 5.3335 5.3335 5.4400 5.4400 5.7017 5.7017 5.8415 5.8415 10.3865 10.3865 11.5180 11.5180 13.8286 13.8286 14.3728 14.3728 14.4498 14.4498 14.5717 14.5717 k = 0.1061 0.1837-0.0000 ( 4046 PWs) bands (ev): -25.5832 -25.5832 -14.8287 -14.8287 -12.1628 -12.1628 -11.8345 -11.8345 -11.6426 -11.6426 -10.4554 -10.4554 -10.3494 -10.3494 -8.2790 -8.2790 -7.2352 -7.2352 -7.1311 -7.1311 -5.1175 -5.1175 -0.9521 -0.9521 -0.4346 -0.4346 0.7604 0.7604 0.8382 0.8382 1.0654 1.0654 1.5416 1.5416 3.4733 3.4733 4.0745 4.0745 4.3541 4.3541 4.6199 4.6199 4.9662 4.9662 5.0963 5.0963 5.1792 5.1792 5.3400 5.3400 5.4320 5.4320 5.6986 5.6986 5.8285 5.8285 10.3228 10.3228 11.5155 11.5155 13.8420 13.8420 14.3819 14.3819 14.4353 14.4353 14.5680 14.5680 k = 0.0985 0.1706-0.0000 ( 4050 PWs) bands (ev): -25.5833 -25.5833 -14.8495 -14.8495 -12.1136 -12.1136 -11.8258 -11.8258 -11.6580 -11.6580 -10.4471 -10.4471 -10.3540 -10.3540 -8.2745 -8.2745 -7.2300 -7.2300 -7.1283 -7.1283 -5.1826 -5.1826 -0.9321 -0.9321 -0.4387 -0.4387 0.7493 0.7493 0.8179 0.8179 1.0622 1.0622 1.4872 1.4872 3.5428 3.5428 4.0791 4.0791 4.3158 4.3158 4.6993 4.6993 4.9698 4.9698 5.1257 5.1257 5.1954 5.1954 5.3463 5.3463 5.4255 5.4255 5.6942 5.6942 5.8143 5.8143 10.2598 10.2598 11.5126 11.5126 13.8530 13.8530 14.3842 14.3842 14.4289 14.4289 14.5641 14.5641 k = 0.0909 0.1575-0.0000 ( 4054 PWs) bands (ev): -25.5834 -25.5834 -14.8688 -14.8688 -12.0665 -12.0665 -11.8174 -11.8174 -11.6724 -11.6724 -10.4397 -10.4397 -10.3585 -10.3585 -8.2702 -8.2702 -7.2251 -7.2251 -7.1255 -7.1255 -5.2442 -5.2442 -0.9140 -0.9140 -0.4413 -0.4413 0.7377 0.7377 0.7993 0.7993 1.0601 1.0601 1.4345 1.4345 3.6110 3.6110 4.0842 4.0842 4.2784 4.2784 4.7769 4.7769 4.9702 4.9702 5.1547 5.1547 5.2123 5.2123 5.3522 5.3522 5.4204 5.4204 5.6886 5.6886 5.7987 5.7987 10.1980 10.1980 11.5092 11.5092 13.8616 13.8616 14.3788 14.3788 14.4313 14.4313 14.5598 14.5598 k = 0.0833 0.1443-0.0000 ( 4056 PWs) bands (ev): -25.5835 -25.5835 -14.8866 -14.8866 -12.0219 -12.0219 -11.8093 -11.8093 -11.6857 -11.6857 -10.4334 -10.4334 -10.3628 -10.3628 -8.2661 -8.2661 -7.2204 -7.2204 -7.1229 -7.1229 -5.3022 -5.3022 -0.8979 -0.8979 -0.4425 -0.4425 0.7261 0.7261 0.7824 0.7824 1.0589 1.0589 1.3839 1.3839 3.6775 3.6775 4.0896 4.0896 4.2426 4.2426 4.8512 4.8512 4.9679 4.9679 5.1833 5.1833 5.2300 5.2300 5.3578 5.3578 5.4169 5.4169 5.6817 5.6817 5.7818 5.7818 10.1380 10.1380 11.5055 11.5055 13.8677 13.8677 14.3701 14.3701 14.4381 14.4381 14.5551 14.5551 k = 0.0758 0.1312-0.0000 ( 4050 PWs) bands (ev): -25.5836 -25.5836 -14.9029 -14.9029 -11.9800 -11.9800 -11.8017 -11.8017 -11.6980 -11.6980 -10.4282 -10.4282 -10.3668 -10.3668 -8.2622 -8.2622 -7.2160 -7.2160 -7.1203 -7.1203 -5.3561 -5.3561 -0.8836 -0.8836 -0.4425 -0.4425 0.7145 0.7145 0.7671 0.7671 1.0583 1.0583 1.3359 1.3359 3.7418 3.7418 4.0951 4.0951 4.2088 4.2088 4.9167 4.9167 4.9680 4.9680 5.2111 5.2111 5.2485 5.2485 5.3632 5.3632 5.4148 5.4148 5.6737 5.6737 5.7638 5.7638 10.0804 10.0804 11.5017 11.5017 13.8717 13.8717 14.3614 14.3614 14.4460 14.4460 14.5499 14.5499 k = 0.0682 0.1181-0.0000 ( 4044 PWs) bands (ev): -25.5837 -25.5837 -14.9178 -14.9178 -11.9411 -11.9411 -11.7945 -11.7945 -11.7091 -11.7091 -10.4240 -10.4240 -10.3703 -10.3703 -8.2586 -8.2586 -7.2120 -7.2120 -7.1178 -7.1178 -5.4058 -5.4058 -0.8710 -0.8710 -0.4415 -0.4415 0.7034 0.7034 0.7534 0.7534 1.0583 1.0583 1.2910 1.2910 3.8036 3.8036 4.1005 4.1005 4.1773 4.1773 4.9382 4.9382 5.0057 5.0057 5.2377 5.2377 5.2676 5.2676 5.3684 5.3684 5.4140 5.4140 5.6644 5.6644 5.7447 5.7447 10.0257 10.0257 11.4977 11.4977 13.8737 13.8737 14.3538 14.3538 14.4537 14.4537 14.5443 14.5443 k = 0.0606 0.1050-0.0000 ( 4050 PWs) bands (ev): -25.5838 -25.5838 -14.9311 -14.9311 -11.9055 -11.9055 -11.7878 -11.7878 -11.7191 -11.7191 -10.4208 -10.4208 -10.3733 -10.3733 -8.2553 -8.2553 -7.2084 -7.2084 -7.1155 -7.1155 -5.4510 -5.4510 -0.8601 -0.8601 -0.4397 -0.4397 0.6928 0.6928 0.7413 0.7413 1.0585 1.0585 1.2497 1.2497 3.8621 3.8621 4.1056 4.1056 4.1486 4.1486 4.9294 4.9294 5.0671 5.0671 5.2626 5.2626 5.2874 5.2874 5.3738 5.3738 5.4142 5.4142 5.6541 5.6541 5.7246 5.7246 9.9745 9.9745 11.4938 11.4938 13.8743 13.8743 14.3474 14.3474 14.4606 14.4606 14.5385 14.5385 k = 0.0530 0.0919-0.0000 ( 4046 PWs) bands (ev): -25.5838 -25.5838 -14.9429 -14.9429 -11.8735 -11.8735 -11.7816 -11.7816 -11.7280 -11.7280 -10.4187 -10.4187 -10.3756 -10.3756 -8.2523 -8.2523 -7.2051 -7.2051 -7.1134 -7.1134 -5.4915 -5.4915 -0.8507 -0.8507 -0.4373 -0.4373 0.6831 0.6831 0.7306 0.7306 1.0586 1.0586 1.2125 1.2125 3.9169 3.9169 4.1091 4.1091 4.1239 4.1239 4.9157 4.9157 5.1270 5.1270 5.2851 5.2851 5.3077 5.3077 5.3794 5.3794 5.4154 5.4154 5.6427 5.6427 5.7036 5.7036 9.9275 9.9275 11.4901 11.4901 13.8737 13.8737 14.3422 14.3422 14.4665 14.4665 14.5329 14.5329 k = 0.0455 0.0787-0.0000 ( 4034 PWs) bands (ev): -25.5839 -25.5839 -14.9531 -14.9531 -11.8454 -11.8454 -11.7758 -11.7758 -11.7357 -11.7357 -10.4174 -10.4174 -10.3773 -10.3773 -8.2497 -8.2497 -7.2023 -7.2023 -7.1115 -7.1115 -5.5270 -5.5270 -0.8427 -0.8427 -0.4347 -0.4347 0.6745 0.6745 0.7213 0.7213 1.0584 1.0584 1.1801 1.1801 3.9672 3.9672 4.0973 4.0973 4.1173 4.1173 4.9001 4.9001 5.1823 5.1823 5.3048 5.3048 5.3280 5.3280 5.3859 5.3859 5.4173 5.4173 5.6304 5.6304 5.6818 5.6818 9.8853 9.8853 11.4866 11.4866 13.8723 13.8723 14.3383 14.3383 14.4712 14.4712 14.5279 14.5279 k = 0.0379 0.0656-0.0000 ( 4032 PWs) bands (ev): -25.5839 -25.5839 -14.9618 -14.9618 -11.8217 -11.8217 -11.7704 -11.7704 -11.7422 -11.7422 -10.4169 -10.4169 -10.3785 -10.3785 -8.2474 -8.2474 -7.1999 -7.1999 -7.1098 -7.1098 -5.5574 -5.5574 -0.8361 -0.8361 -0.4319 -0.4319 0.6669 0.6669 0.7135 0.7135 1.0572 1.0572 1.1530 1.1530 4.0118 4.0118 4.0787 4.0787 4.1206 4.1206 4.8840 4.8840 5.2316 5.2316 5.3221 5.3221 5.3468 5.3468 5.3938 5.3938 5.4200 5.4200 5.6175 5.6175 5.6596 5.6596 9.8484 9.8484 11.4835 11.4835 13.8706 13.8706 14.3353 14.3353 14.4744 14.4744 14.5238 14.5238 k = 0.0303 0.0525-0.0000 ( 4032 PWs) bands (ev): -25.5840 -25.5840 -14.9689 -14.9689 -11.8028 -11.8028 -11.7653 -11.7653 -11.7473 -11.7473 -10.4168 -10.4168 -10.3792 -10.3792 -8.2455 -8.2455 -7.1979 -7.1979 -7.1084 -7.1084 -5.5826 -5.5826 -0.8308 -0.8308 -0.4292 -0.4292 0.6607 0.6607 0.7071 0.7071 1.0548 1.0548 1.1320 1.1320 4.0458 4.0458 4.0676 4.0676 4.1239 4.1239 4.8685 4.8685 5.2730 5.2730 5.3380 5.3380 5.3625 5.3625 5.4035 5.4035 5.4239 5.4239 5.6040 5.6040 5.6373 5.6373 9.8173 9.8173 11.4808 11.4808 13.8688 13.8688 14.3333 14.3333 14.4762 14.4762 14.5209 14.5209 k = 0.0227 0.0394-0.0000 ( 4016 PWs) bands (ev): -25.5840 -25.5840 -14.9745 -14.9745 -11.7890 -11.7890 -11.7609 -11.7609 -11.7505 -11.7505 -10.4171 -10.4171 -10.3796 -10.3796 -8.2440 -8.2440 -7.1963 -7.1963 -7.1073 -7.1073 -5.6023 -5.6023 -0.8267 -0.8267 -0.4269 -0.4269 0.6557 0.6557 0.7021 0.7021 1.0510 1.0510 1.1174 1.1174 4.0450 4.0450 4.0875 4.0875 4.1266 4.1266 4.8548 4.8548 5.3035 5.3035 5.3543 5.3543 5.3743 5.3743 5.4144 5.4144 5.4298 5.4298 5.5904 5.5904 5.6161 5.6161 9.7926 9.7926 11.4787 11.4787 13.8671 13.8671 14.3319 14.3319 14.4767 14.4767 14.5192 14.5192 k = 0.0152 0.0262-0.0000 ( 4014 PWs) bands (ev): -25.5840 -25.5840 -14.9784 -14.9784 -11.7802 -11.7802 -11.7594 -11.7594 -11.7500 -11.7500 -10.4174 -10.4174 -10.3798 -10.3798 -8.2430 -8.2430 -7.1952 -7.1952 -7.1065 -7.1065 -5.6164 -5.6164 -0.8239 -0.8239 -0.4251 -0.4251 0.6522 0.6522 0.6986 0.6986 1.0466 1.0466 1.1085 1.1085 4.0367 4.0367 4.1102 4.1102 4.1287 4.1287 4.8439 4.8439 5.3214 5.3214 5.3706 5.3706 5.3826 5.3826 5.4243 5.4243 5.4385 5.4385 5.5771 5.5771 5.5979 5.5979 9.7747 9.7747 11.4771 11.4771 13.8657 13.8657 14.3310 14.3310 14.4766 14.4766 14.5184 14.5184 k = 0.0076 0.0131-0.0000 ( 4009 PWs) bands (ev): -25.5840 -25.5840 -14.9808 -14.9808 -11.7755 -11.7755 -11.7602 -11.7602 -11.7474 -11.7474 -10.4176 -10.4176 -10.3799 -10.3799 -8.2423 -8.2423 -7.1945 -7.1945 -7.1060 -7.1060 -5.6250 -5.6250 -0.8222 -0.8222 -0.4240 -0.4240 0.6500 0.6500 0.6964 0.6964 1.0431 1.0431 1.1040 1.1040 4.0314 4.0314 4.1242 4.1242 4.1305 4.1305 4.8368 4.8368 5.3297 5.3297 5.3812 5.3812 5.3884 5.3884 5.4322 5.4322 5.4473 5.4473 5.5657 5.5657 5.5857 5.5857 9.7638 9.7638 11.4761 11.4761 13.8649 13.8649 14.3305 14.3305 14.4762 14.4762 14.5181 14.5181 k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -25.5840 -25.5840 -14.9816 -14.9816 -11.7740 -11.7740 -11.7607 -11.7607 -11.7462 -11.7462 -10.4177 -10.4177 -10.3799 -10.3799 -8.2421 -8.2421 -7.1943 -7.1943 -7.1058 -7.1058 -5.6278 -5.6278 -0.8216 -0.8216 -0.4236 -0.4236 0.6493 0.6493 0.6957 0.6957 1.0418 1.0418 1.1026 1.1026 4.0295 4.0295 4.1278 4.1278 4.1323 4.1323 4.8344 4.8344 5.3320 5.3320 5.3842 5.3842 5.3909 5.3909 5.4356 5.4356 5.4512 5.4512 5.5606 5.5606 5.5815 5.5815 9.7602 9.7602 11.4758 11.4758 13.8646 13.8646 14.3304 14.3304 14.4760 14.4760 14.5180 14.5180 k = 0.0000 0.0000 0.0000 ( 4001 PWs) bands (ev): -25.5840 -25.5840 -14.9816 -14.9816 -11.7740 -11.7740 -11.7607 -11.7607 -11.7462 -11.7462 -10.4177 -10.4177 -10.3799 -10.3799 -8.2421 -8.2421 -7.1943 -7.1943 -7.1058 -7.1058 -5.6278 -5.6278 -0.8216 -0.8216 -0.4236 -0.4236 0.6493 0.6493 0.6957 0.6957 1.0418 1.0418 1.1026 1.1026 4.0295 4.0295 4.1278 4.1278 4.1323 4.1323 4.8344 4.8344 5.3320 5.3320 5.3842 5.3842 5.3909 5.3909 5.4356 5.4356 5.4512 5.4512 5.5606 5.5606 5.5815 5.5815 9.7602 9.7602 11.4758 11.4758 13.8646 13.8646 14.3304 14.3304 14.4760 14.4760 14.5180 14.5180 k = 0.0000 0.0000 0.0154 ( 4001 PWs) bands (ev): -25.5840 -25.5840 -14.9817 -14.9817 -11.7741 -11.7741 -11.7604 -11.7604 -11.7462 -11.7462 -10.4174 -10.4174 -10.3797 -10.3797 -8.2426 -8.2426 -7.1947 -7.1947 -7.1065 -7.1065 -5.6278 -5.6278 -0.8200 -0.8200 -0.4238 -0.4238 0.6503 0.6503 0.6968 0.6968 1.0415 1.0415 1.1023 1.1023 4.0303 4.0303 4.1284 4.1284 4.1328 4.1328 4.8329 4.8329 5.3310 5.3310 5.3832 5.3832 5.3889 5.3889 5.4347 5.4347 5.4502 5.4502 5.5612 5.5612 5.5821 5.5821 9.7627 9.7627 11.4769 11.4769 13.8638 13.8638 14.3279 14.3279 14.4738 14.4738 14.5156 14.5156 k = 0.0000 0.0000 0.0309 ( 4013 PWs) bands (ev): -25.5840 -25.5840 -14.9820 -14.9820 -11.7744 -11.7744 -11.7593 -11.7593 -11.7464 -11.7464 -10.4165 -10.4165 -10.3790 -10.3790 -8.2441 -8.2441 -7.1958 -7.1958 -7.1083 -7.1083 -5.6277 -5.6277 -0.8153 -0.8153 -0.4243 -0.4243 0.6533 0.6533 0.7000 0.7000 1.0406 1.0406 1.1014 1.1014 4.0327 4.0327 4.1301 4.1301 4.1345 4.1345 4.8285 4.8285 5.3276 5.3276 5.3802 5.3802 5.3829 5.3829 5.4321 5.4321 5.4474 5.4474 5.5630 5.5630 5.5839 5.5839 9.7702 9.7702 11.4801 11.4801 13.8617 13.8617 14.3207 14.3207 14.4673 14.4673 14.5082 14.5082 k = 0.0000 0.0000 0.0463 ( 4025 PWs) bands (ev): -25.5840 -25.5840 -14.9825 -14.9825 -11.7749 -11.7749 -11.7575 -11.7575 -11.7467 -11.7467 -10.4150 -10.4150 -10.3779 -10.3779 -8.2466 -8.2466 -7.1977 -7.1977 -7.1114 -7.1114 -5.6275 -5.6275 -0.8074 -0.8074 -0.4251 -0.4251 0.6582 0.6582 0.7053 0.7053 1.0391 1.0391 1.0999 1.0999 4.0365 4.0365 4.1328 4.1328 4.1372 4.1372 4.8211 4.8211 5.3220 5.3220 5.3730 5.3730 5.3749 5.3749 5.4280 5.4280 5.4430 5.4430 5.5658 5.5658 5.5868 5.5868 9.7825 9.7825 11.4855 11.4855 13.8581 13.8581 14.3089 14.3089 14.4566 14.4566 14.4961 14.4961 k = 0.0000 0.0000 0.0617 ( 4037 PWs) bands (ev): -25.5840 -25.5840 -14.9831 -14.9831 -11.7755 -11.7755 -11.7551 -11.7551 -11.7471 -11.7471 -10.4129 -10.4129 -10.3764 -10.3764 -8.2501 -8.2501 -7.2003 -7.2003 -7.1156 -7.1156 -5.6272 -5.6272 -0.7965 -0.7965 -0.4263 -0.4263 0.6650 0.6650 0.7127 0.7127 1.0372 1.0372 1.0979 1.0979 4.0420 4.0420 4.1367 4.1367 4.1410 4.1410 4.8107 4.8107 5.3139 5.3139 5.3596 5.3596 5.3672 5.3672 5.4227 5.4227 5.4374 5.4374 5.5697 5.5697 5.5907 5.5907 9.7995 9.7995 11.4930 11.4930 13.8531 13.8531 14.2931 14.2931 14.4418 14.4418 14.4795 14.4795 k = 0.0000 0.0000 0.0772 ( 4037 PWs) bands (ev): -25.5840 -25.5840 -14.9840 -14.9840 -11.7763 -11.7763 -11.7521 -11.7521 -11.7476 -11.7476 -10.4102 -10.4102 -10.3745 -10.3745 -8.2544 -8.2544 -7.2035 -7.2035 -7.1209 -7.1209 -5.6268 -5.6268 -0.7827 -0.7827 -0.4278 -0.4278 0.6737 0.6737 0.7221 0.7221 1.0346 1.0346 1.0953 1.0953 4.0489 4.0489 4.1416 4.1416 4.1459 4.1459 4.7972 4.7972 5.3031 5.3031 5.3429 5.3429 5.3567 5.3567 5.4166 5.4166 5.4313 5.4313 5.5744 5.5744 5.5955 5.5955 9.8209 9.8209 11.5024 11.5024 13.8468 13.8468 14.2738 14.2738 14.4233 14.4233 14.4588 14.4588 k = 0.0000 0.0000 0.0926 ( 4037 PWs) bands (ev): -25.5840 -25.5840 -14.9850 -14.9850 -11.7771 -11.7771 -11.7485 -11.7485 -11.7482 -11.7482 -10.4070 -10.4070 -10.3723 -10.3723 -8.2597 -8.2597 -7.2074 -7.2074 -7.1273 -7.1273 -5.6264 -5.6264 -0.7661 -0.7661 -0.4296 -0.4296 0.6842 0.6842 0.7333 0.7333 1.0316 1.0316 1.0922 1.0922 4.0574 4.0574 4.1474 4.1474 4.1517 4.1517 4.7806 4.7806 5.2894 5.2894 5.3235 5.3235 5.3431 5.3431 5.4100 5.4100 5.4250 5.4250 5.5799 5.5799 5.6011 5.6011 9.8464 9.8464 11.5138 11.5138 13.8391 13.8391 14.2516 14.2516 14.4014 14.4014 14.4343 14.4343 k = 0.0000 0.0000 0.1081 ( 4037 PWs) bands (ev): -25.5840 -25.5840 -14.9862 -14.9862 -11.7781 -11.7781 -11.7489 -11.7489 -11.7443 -11.7443 -10.4033 -10.4033 -10.3696 -10.3696 -8.2657 -8.2657 -7.2119 -7.2119 -7.1346 -7.1346 -5.6259 -5.6259 -0.7468 -0.7468 -0.4317 -0.4317 0.6963 0.6963 0.7464 0.7464 1.0282 1.0282 1.0887 1.0887 4.0673 4.0673 4.1543 4.1543 4.1585 4.1585 4.7609 4.7609 5.2726 5.2726 5.3020 5.3020 5.3265 5.3265 5.4032 5.4032 5.4188 5.4188 5.5861 5.5861 5.6073 5.6073 9.8756 9.8756 11.5270 11.5270 13.8301 13.8301 14.2270 14.2270 14.3765 14.3765 14.4067 14.4067 k = 0.0000 0.0000 0.1235 ( 4061 PWs) bands (ev): -25.5839 -25.5839 -14.9875 -14.9875 -11.7792 -11.7792 -11.7497 -11.7497 -11.7397 -11.7397 -10.3992 -10.3992 -10.3667 -10.3667 -8.2725 -8.2725 -7.2170 -7.2170 -7.1428 -7.1428 -5.6254 -5.6254 -0.7250 -0.7250 -0.4340 -0.4340 0.7099 0.7099 0.7611 0.7611 1.0243 1.0243 1.0847 1.0847 4.0786 4.0786 4.1620 4.1620 4.1661 4.1661 4.7380 4.7380 5.2526 5.2526 5.2789 5.2789 5.3069 5.3069 5.3965 5.3965 5.4130 5.4130 5.5928 5.5928 5.6140 5.6140 9.9082 9.9082 11.5419 11.5419 13.8198 13.8198 14.2007 14.2007 14.3490 14.3490 14.3763 14.3763 k = 0.0000 0.0000 0.1389 ( 4055 PWs) bands (ev): -25.5839 -25.5839 -14.9889 -14.9889 -11.7804 -11.7804 -11.7506 -11.7506 -11.7346 -11.7346 -10.3946 -10.3946 -10.3634 -10.3634 -8.2800 -8.2800 -7.2225 -7.2225 -7.1518 -7.1518 -5.6248 -5.6248 -0.7010 -0.7010 -0.4365 -0.4365 0.7250 0.7250 0.7773 0.7773 1.0201 1.0201 1.0804 1.0804 4.0914 4.0914 4.1705 4.1705 4.1746 4.1746 4.7121 4.7121 5.2296 5.2296 5.2546 5.2546 5.2845 5.2845 5.3900 5.3900 5.4076 5.4076 5.6000 5.6000 5.6212 5.6212 9.9436 9.9436 11.5583 11.5583 13.8084 13.8084 14.1731 14.1731 14.3193 14.3193 14.3439 14.3439 k = 0.0000 0.0000 0.1544 ( 4055 PWs) bands (ev): -25.5839 -25.5839 -14.9905 -14.9905 -11.7816 -11.7816 -11.7515 -11.7515 -11.7291 -11.7291 -10.3897 -10.3897 -10.3599 -10.3599 -8.2881 -8.2881 -7.2285 -7.2285 -7.1614 -7.1614 -5.6241 -5.6241 -0.6750 -0.6750 -0.4393 -0.4393 0.7413 0.7413 0.7949 0.7949 1.0157 1.0157 1.0759 1.0759 4.1054 4.1054 4.1798 4.1798 4.1838 4.1838 4.6831 4.6831 5.2043 5.2043 5.2292 5.2292 5.2597 5.2597 5.3838 5.3838 5.4024 5.4024 5.6076 5.6076 5.6287 5.6287 9.9815 9.9815 11.5760 11.5760 13.7958 13.7958 14.1446 14.1446 14.2878 14.2878 14.3098 14.3098 k = 0.0000 0.0000 0.1698 ( 4042 PWs) bands (ev): -25.5838 -25.5838 -14.9921 -14.9921 -11.7829 -11.7829 -11.7525 -11.7525 -11.7232 -11.7232 -10.3844 -10.3844 -10.3562 -10.3562 -8.2967 -8.2967 -7.2348 -7.2348 -7.1716 -7.1716 -5.6235 -5.6235 -0.6472 -0.6472 -0.4422 -0.4422 0.7587 0.7587 0.8136 0.8136 1.0109 1.0109 1.0711 1.0711 4.1207 4.1207 4.1897 4.1897 4.1937 4.1937 4.6514 4.6514 5.1772 5.1772 5.2026 5.2026 5.2328 5.2328 5.3780 5.3780 5.3976 5.3976 5.6154 5.6154 5.6364 5.6364 10.0213 10.0213 11.5949 11.5949 13.7821 13.7821 14.1158 14.1158 14.2551 14.2551 14.2748 14.2748 k = 0.0000 0.0000 0.1852 ( 4042 PWs) bands (ev): -25.5838 -25.5838 -14.9938 -14.9938 -11.7843 -11.7843 -11.7535 -11.7535 -11.7171 -11.7171 -10.3789 -10.3789 -10.3524 -10.3524 -8.3057 -8.3057 -7.2414 -7.2414 -7.1822 -7.1822 -5.6228 -5.6228 -0.6179 -0.6179 -0.4452 -0.4452 0.7769 0.7769 0.8333 0.8333 1.0061 1.0061 1.0662 1.0662 4.1372 4.1372 4.2002 4.2002 4.2041 4.2041 4.6171 4.6171 5.1490 5.1490 5.1748 5.1748 5.2041 5.2041 5.3724 5.3724 5.3931 5.3931 5.6234 5.6234 5.6443 5.6443 10.0626 10.0626 11.6148 11.6148 13.7674 13.7674 14.0869 14.0869 14.2215 14.2215 14.2392 14.2392 k = 0.0000 0.0000 0.2007 ( 4030 PWs) bands (ev): -25.5838 -25.5838 -14.9955 -14.9955 -11.7856 -11.7856 -11.7545 -11.7545 -11.7108 -11.7108 -10.3732 -10.3732 -10.3484 -10.3484 -8.3150 -8.3150 -7.2482 -7.2482 -7.1931 -7.1931 -5.6220 -5.6220 -0.5874 -0.5874 -0.4483 -0.4483 0.7959 0.7959 0.8537 0.8537 1.0011 1.0011 1.0612 1.0612 4.1548 4.1548 4.2113 4.2113 4.2152 4.2152 4.5806 4.5806 5.1203 5.1203 5.1459 5.1459 5.1739 5.1739 5.3673 5.3673 5.3888 5.3888 5.6315 5.6315 5.6523 5.6523 10.1048 10.1048 11.6355 11.6355 13.7518 13.7518 14.0583 14.0583 14.1876 14.1876 14.2036 14.2036 k = 0.0000 0.0000 0.2161 ( 4042 PWs) bands (ev): -25.5837 -25.5837 -14.9973 -14.9973 -11.7870 -11.7870 -11.7556 -11.7556 -11.7044 -11.7044 -10.3674 -10.3674 -10.3443 -10.3443 -8.3245 -8.3245 -7.2551 -7.2551 -7.2042 -7.2042 -5.6213 -5.6213 -0.5561 -0.5561 -0.4514 -0.4514 0.8154 0.8154 0.8746 0.8746 0.9961 0.9961 1.0563 1.0563 4.1734 4.1734 4.2228 4.2228 4.2267 4.2267 4.5423 4.5423 5.0913 5.0913 5.1161 5.1161 5.1426 5.1426 5.3625 5.3625 5.3848 5.3848 5.6396 5.6396 5.6603 5.6603 10.1476 10.1476 11.6566 11.6566 13.7353 13.7353 14.0303 14.0303 14.1536 14.1536 14.1685 14.1685 k = 0.0000 0.0000 0.2315 ( 4036 PWs) bands (ev): -25.5837 -25.5837 -14.9991 -14.9991 -11.7884 -11.7884 -11.7566 -11.7566 -11.6980 -11.6980 -10.3615 -10.3615 -10.3402 -10.3402 -8.3341 -8.3341 -7.2621 -7.2621 -7.2153 -7.2153 -5.6205 -5.6205 -0.5242 -0.5242 -0.4546 -0.4546 0.8350 0.8350 0.8956 0.8956 0.9912 0.9912 1.0515 1.0515 4.1928 4.1928 4.2346 4.2346 4.2386 4.2386 4.5026 4.5026 5.0623 5.0623 5.0856 5.0856 5.1105 5.1105 5.3580 5.3580 5.3810 5.3810 5.6477 5.6477 5.6682 5.6682 10.1903 10.1903 11.6780 11.6780 13.7183 13.7183 14.0030 14.0030 14.1200 14.1200 14.1343 14.1343 k = 0.0000 0.0000 0.2470 ( 4042 PWs) bands (ev): -25.5837 -25.5837 -15.0008 -15.0008 -11.7898 -11.7898 -11.7577 -11.7577 -11.6915 -11.6915 -10.3556 -10.3556 -10.3361 -10.3361 -8.3437 -8.3437 -7.2690 -7.2690 -7.2263 -7.2263 -5.6198 -5.6198 -0.4922 -0.4922 -0.4577 -0.4577 0.8547 0.8547 0.9165 0.9165 0.9865 0.9865 1.0471 1.0471 4.2130 4.2130 4.2468 4.2468 4.2509 4.2509 4.4623 4.4623 5.0335 5.0335 5.0548 5.0548 5.0779 5.0779 5.3538 5.3538 5.3775 5.3775 5.6555 5.6555 5.6760 5.6760 10.2326 10.2326 11.6994 11.6994 13.7007 13.7007 13.9767 13.9767 14.0872 14.0872 14.1014 14.1014 k = 0.0000 0.0000 0.2624 ( 4042 PWs) bands (ev): -25.5836 -25.5836 -15.0026 -15.0026 -11.7912 -11.7912 -11.7587 -11.7587 -11.6851 -11.6851 -10.3498 -10.3498 -10.3320 -10.3320 -8.3531 -8.3531 -7.2758 -7.2758 -7.2370 -7.2370 -5.6190 -5.6190 -0.4629 -0.4629 -0.4583 -0.4583 0.8740 0.8740 0.9368 0.9368 0.9821 0.9821 1.0432 1.0432 4.2337 4.2337 4.2591 4.2591 4.2636 4.2636 4.4219 4.4219 5.0048 5.0048 5.0238 5.0238 5.0452 5.0452 5.3499 5.3499 5.3742 5.3742 5.6632 5.6632 5.6835 5.6835 10.2740 10.2740 11.7206 11.7206 13.6828 13.6828 13.9515 13.9515 14.0555 14.0555 14.0701 14.0701 k = 0.0000 0.0000 0.2779 ( 4054 PWs) bands (ev): -25.5836 -25.5836 -15.0043 -15.0043 -11.7925 -11.7925 -11.7597 -11.7597 -11.6790 -11.6790 -10.3441 -10.3441 -10.3281 -10.3281 -8.3623 -8.3623 -7.2825 -7.2825 -7.2475 -7.2475 -5.6183 -5.6183 -0.4641 -0.4641 -0.4288 -0.4288 0.8925 0.8925 0.9559 0.9559 0.9782 0.9782 1.0401 1.0401 4.2542 4.2542 4.2715 4.2715 4.2768 4.2768 4.3821 4.3821 4.9765 4.9765 4.9931 4.9931 5.0127 5.0127 5.3463 5.3463 5.3711 5.3711 5.6706 5.6706 5.6908 5.6908 10.3141 10.3141 11.7414 11.7414 13.6649 13.6649 13.9275 13.9275 14.0251 14.0251 14.0409 14.0409 k = 0.0000 0.0000 0.2933 ( 4048 PWs) bands (ev): -25.5836 -25.5836 -15.0058 -15.0058 -11.7937 -11.7937 -11.7606 -11.7606 -11.6730 -11.6730 -10.3387 -10.3387 -10.3244 -10.3244 -8.3712 -8.3712 -7.2888 -7.2888 -7.2574 -7.2574 -5.6176 -5.6176 -0.4669 -0.4669 -0.3986 -0.3986 0.9098 0.9098 0.9730 0.9730 0.9751 0.9751 1.0387 1.0387 4.2735 4.2735 4.2839 4.2839 4.2906 4.2906 4.3445 4.3445 4.9487 4.9487 4.9630 4.9630 4.9809 4.9809 5.3431 5.3431 5.3683 5.3683 5.6776 5.6776 5.6977 5.6977 10.3523 10.3523 11.7613 11.7613 13.6472 13.6472 13.9049 13.9049 13.9965 13.9965 14.0140 14.0140 k = 0.0000 0.0000 0.3087 ( 4048 PWs) bands (ev): -25.5835 -25.5835 -15.0074 -15.0074 -11.7949 -11.7949 -11.7615 -11.7615 -11.6674 -11.6674 -10.3335 -10.3335 -10.3208 -10.3208 -8.3796 -8.3796 -7.2948 -7.2948 -7.2668 -7.2668 -5.6170 -5.6170 -0.4696 -0.4696 -0.3698 -0.3698 0.9250 0.9250 0.9736 0.9736 0.9866 0.9866 1.0401 1.0401 4.2867 4.2867 4.2962 4.2962 4.2989 4.2989 4.3202 4.3202 4.9213 4.9213 4.9338 4.9338 4.9501 4.9501 5.3401 5.3401 5.3657 5.3657 5.6842 5.6842 5.7042 5.7042 10.3884 10.3884 11.7803 11.7803 13.6300 13.6300 13.8837 13.8837 13.9698 13.9698 13.9895 13.9895 k = 0.0000 0.0000 0.3242 ( 4066 PWs) bands (ev): -25.5835 -25.5835 -15.0088 -15.0088 -11.7960 -11.7960 -11.7624 -11.7624 -11.6622 -11.6622 -10.3287 -10.3287 -10.3175 -10.3175 -8.3874 -8.3874 -7.3003 -7.3003 -7.2755 -7.2755 -5.6164 -5.6164 -0.4721 -0.4721 -0.3426 -0.3426 0.9364 0.9364 0.9750 0.9750 0.9952 0.9952 1.0457 1.0457 4.2643 4.2643 4.3071 4.3071 4.3083 4.3083 4.3336 4.3336 4.8945 4.8945 4.9060 4.9060 4.9206 4.9206 5.3375 5.3375 5.3634 5.3634 5.6903 5.6903 5.7101 5.7101 10.4218 10.4218 11.7981 11.7981 13.6135 13.6135 13.8641 13.8641 13.9452 13.9452 13.9677 13.9677 k = 0.0000 0.0000 0.3396 ( 4066 PWs) bands (ev): -25.5835 -25.5835 -15.0100 -15.0100 -11.7969 -11.7969 -11.7631 -11.7631 -11.6574 -11.6574 -10.3243 -10.3243 -10.3145 -10.3145 -8.3946 -8.3946 -7.3054 -7.3054 -7.2834 -7.2834 -5.6158 -5.6158 -0.4744 -0.4744 -0.3176 -0.3176 0.9425 0.9425 0.9807 0.9807 0.9989 0.9989 1.0550 1.0550 4.2331 4.2331 4.3192 4.3192 4.3199 4.3199 4.3541 4.3541 4.8686 4.8686 4.8799 4.8799 4.8929 4.8929 5.3351 5.3351 5.3614 5.3614 5.6958 5.6958 5.7156 5.7156 10.4523 10.4523 11.8144 11.8144 13.5981 13.5981 13.8462 13.8462 13.9231 13.9231 13.9485 13.9485 k = 0.0000 0.0000 0.3550 ( 4084 PWs) bands (ev): -25.5835 -25.5835 -15.0112 -15.0112 -11.7978 -11.7978 -11.7638 -11.7638 -11.6531 -11.6531 -10.3204 -10.3204 -10.3118 -10.3118 -8.4010 -8.4010 -7.3099 -7.3099 -7.2905 -7.2905 -5.6153 -5.6153 -0.4765 -0.4765 -0.2951 -0.2951 0.9443 0.9443 0.9896 0.9896 0.9997 0.9997 1.0660 1.0660 4.2040 4.2040 4.3304 4.3304 4.3309 4.3309 4.3753 4.3753 4.8438 4.8438 4.8558 4.8558 4.8674 4.8674 5.3331 5.3331 5.3596 5.3596 5.7007 5.7007 5.7204 5.7204 10.4795 10.4795 11.8290 11.8290 13.5841 13.5841 13.8302 13.8302 13.9035 13.9035 13.9321 13.9321 k = 0.0000 0.0000 0.3705 ( 4084 PWs) bands (ev): -25.5835 -25.5835 -15.0122 -15.0122 -11.7986 -11.7986 -11.7643 -11.7643 -11.6494 -11.6494 -10.3169 -10.3169 -10.3095 -10.3095 -8.4066 -8.4066 -7.3139 -7.3139 -7.2966 -7.2966 -5.6149 -5.6149 -0.4782 -0.4782 -0.2754 -0.2754 0.9440 0.9440 0.9991 0.9991 0.9993 0.9993 1.0769 1.0769 4.1783 4.1783 4.3406 4.3406 4.3410 4.3410 4.3959 4.3959 4.8206 4.8206 4.8343 4.8343 4.8447 4.8447 5.3314 5.3314 5.3581 5.3581 5.7049 5.7049 5.7245 5.7245 10.5031 10.5031 11.8418 11.8418 13.5717 13.5717 13.8163 13.8163 13.8867 13.8867 13.9184 13.9184 k = 0.0000 0.0000 0.3859 ( 4096 PWs) bands (ev): -25.5835 -25.5835 -15.0130 -15.0130 -11.7992 -11.7992 -11.7648 -11.7648 -11.6463 -11.6463 -10.3141 -10.3141 -10.3075 -10.3075 -8.4112 -8.4112 -7.3171 -7.3171 -7.3017 -7.3017 -5.6146 -5.6146 -0.4797 -0.4797 -0.2588 -0.2588 0.9430 0.9430 0.9981 0.9981 1.0081 1.0081 1.0866 1.0866 4.1567 4.1567 4.3496 4.3496 4.3500 4.3500 4.4151 4.4151 4.7996 4.7996 4.8158 4.8158 4.8250 4.8250 5.3300 5.3300 5.3568 5.3568 5.7084 5.7084 5.7280 5.7280 10.5228 10.5228 11.8524 11.8524 13.5612 13.5612 13.8046 13.8046 13.8728 13.8728 13.9072 13.9072 k = 0.0000 0.0000 0.4013 ( 4096 PWs) bands (ev): -25.5834 -25.5834 -15.0136 -15.0136 -11.7997 -11.7997 -11.7652 -11.7652 -11.6438 -11.6438 -10.3118 -10.3118 -10.3060 -10.3060 -8.4149 -8.4149 -7.3197 -7.3197 -7.3057 -7.3057 -5.6143 -5.6143 -0.4809 -0.4809 -0.2456 -0.2456 0.9419 0.9419 0.9970 0.9970 1.0154 1.0154 1.0946 1.0946 4.1394 4.1394 4.3570 4.3570 4.3575 4.3575 4.4318 4.4318 4.7815 4.7815 4.8008 4.8008 4.8091 4.8091 5.3289 5.3289 5.3559 5.3559 5.7112 5.7112 5.7307 5.7307 10.5384 10.5384 11.8609 11.8609 13.5528 13.5528 13.7953 13.7953 13.8618 13.8618 13.8987 13.8987 k = 0.0000 0.0000 0.4168 ( 4096 PWs) bands (ev): -25.5834 -25.5834 -15.0141 -15.0141 -11.8000 -11.8000 -11.7655 -11.7655 -11.6421 -11.6421 -10.3101 -10.3101 -10.3048 -10.3048 -8.4176 -8.4176 -7.3216 -7.3216 -7.3086 -7.3086 -5.6141 -5.6141 -0.4817 -0.4817 -0.2360 -0.2360 0.9410 0.9410 0.9962 0.9962 1.0209 1.0209 1.1005 1.1005 4.1269 4.1269 4.3626 4.3626 4.3632 4.3632 4.4450 4.4450 4.7673 4.7673 4.7896 4.7896 4.7973 4.7973 5.3281 5.3281 5.3552 5.3552 5.7132 5.7132 5.7327 5.7327 10.5496 10.5496 11.8670 11.8670 13.5467 13.5467 13.7885 13.7885 13.8539 13.8539 13.8926 13.8926 k = 0.0000 0.0000 0.4322 ( 4096 PWs) bands (ev): -25.5834 -25.5834 -15.0144 -15.0144 -11.8003 -11.8003 -11.7656 -11.7656 -11.6410 -11.6410 -10.3091 -10.3091 -10.3042 -10.3042 -8.4192 -8.4192 -7.3227 -7.3227 -7.3103 -7.3103 -5.6140 -5.6140 -0.4823 -0.4823 -0.2302 -0.2302 0.9405 0.9405 0.9956 0.9956 1.0242 1.0242 1.1041 1.1041 4.1193 4.1193 4.3660 4.3660 4.3667 4.3667 4.4536 4.4536 4.7582 4.7582 4.7827 4.7827 4.7900 4.7900 5.3276 5.3276 5.3547 5.3547 5.7145 5.7145 5.7339 5.7339 10.5564 10.5564 11.8707 11.8707 13.5430 13.5430 13.7845 13.7845 13.8491 13.8491 13.8890 13.8890 k = 0.0000 0.0000 0.4477 ( 4102 PWs) bands (ev): -25.5834 -25.5834 -15.0145 -15.0145 -11.8003 -11.8003 -11.7657 -11.7657 -11.6406 -11.6406 -10.3088 -10.3088 -10.3039 -10.3039 -8.4197 -8.4197 -7.3231 -7.3231 -7.3109 -7.3109 -5.6139 -5.6139 -0.4824 -0.4824 -0.2283 -0.2283 0.9403 0.9403 0.9954 0.9954 1.0253 1.0253 1.1053 1.1053 4.1168 4.1168 4.3673 4.3673 4.3680 4.3680 4.4566 4.4566 4.7550 4.7550 4.7804 4.7804 4.7876 4.7876 5.3275 5.3275 5.3546 5.3546 5.7149 5.7149 5.7343 5.7343 10.5587 10.5587 11.8719 11.8719 13.5417 13.5417 13.7831 13.7831 13.8476 13.8476 13.8878 13.8878 k = 0.0000 0.0000 0.4477 ( 4102 PWs) bands (ev): -25.5834 -25.5834 -15.0145 -15.0145 -11.8003 -11.8003 -11.7657 -11.7657 -11.6406 -11.6406 -10.3088 -10.3088 -10.3039 -10.3039 -8.4197 -8.4197 -7.3231 -7.3231 -7.3109 -7.3109 -5.6139 -5.6139 -0.4824 -0.4824 -0.2283 -0.2283 0.9403 0.9403 0.9954 0.9954 1.0253 1.0253 1.1053 1.1053 4.1168 4.1168 4.3673 4.3673 4.3680 4.3680 4.4566 4.4566 4.7550 4.7550 4.7804 4.7804 4.7876 4.7876 5.3275 5.3275 5.3546 5.3546 5.7149 5.7149 5.7343 5.7343 10.5587 10.5587 11.8719 11.8719 13.5417 13.5417 13.7831 13.7831 13.8476 13.8476 13.8878 13.8878 k = 0.0132 0.0076 0.4477 ( 4096 PWs) bands (ev): -25.5834 -25.5834 -15.0136 -15.0136 -11.8017 -11.8017 -11.7671 -11.7671 -11.6399 -11.6399 -10.3092 -10.3092 -10.3044 -10.3044 -8.4195 -8.4195 -7.3230 -7.3230 -7.3107 -7.3107 -5.6108 -5.6108 -0.4830 -0.4830 -0.2302 -0.2302 0.9419 0.9419 0.9958 0.9958 1.0267 1.0267 1.1052 1.1052 4.1166 4.1166 4.3603 4.3603 4.3662 4.3662 4.4578 4.4578 4.7609 4.7609 4.7820 4.7820 4.7890 4.7890 5.3246 5.3246 5.3517 5.3517 5.7154 5.7154 5.7347 5.7347 10.5604 10.5604 11.8722 11.8722 13.5427 13.5427 13.7839 13.7839 13.8475 13.8475 13.8895 13.8895 k = 0.0263 0.0152 0.4477 ( 4092 PWs) bands (ev): -25.5834 -25.5834 -15.0111 -15.0111 -11.8059 -11.8059 -11.7709 -11.7709 -11.6376 -11.6376 -10.3106 -10.3106 -10.3059 -10.3059 -8.4187 -8.4187 -7.3227 -7.3227 -7.3100 -7.3100 -5.6017 -5.6017 -0.4847 -0.4847 -0.2360 -0.2360 0.9463 0.9463 0.9968 0.9968 1.0311 1.0311 1.1052 1.1052 4.1158 4.1158 4.3404 4.3404 4.3620 4.3620 4.4615 4.4615 4.7741 4.7741 4.7885 4.7885 4.7943 4.7943 5.3153 5.3153 5.3436 5.3436 5.7168 5.7168 5.7358 5.7358 10.5653 10.5653 11.8729 11.8729 13.5456 13.5456 13.7861 13.7861 13.8473 13.8473 13.8949 13.8949 k = 0.0395 0.0228 0.4477 ( 4092 PWs) bands (ev): -25.5834 -25.5834 -15.0068 -15.0068 -11.8137 -11.8137 -11.7765 -11.7765 -11.6339 -11.6339 -10.3129 -10.3129 -10.3081 -10.3081 -8.4174 -8.4174 -7.3223 -7.3223 -7.3087 -7.3087 -5.5864 -5.5864 -0.4874 -0.4874 -0.2457 -0.2457 0.9523 0.9523 0.9982 0.9982 1.0396 1.0396 1.1054 1.1054 4.1133 4.1133 4.3118 4.3118 4.3553 4.3553 4.4676 4.4676 4.7821 4.7821 4.7992 4.7992 4.8132 4.8132 5.2985 5.2985 5.3324 5.3324 5.7189 5.7189 5.7374 5.7374 10.5734 10.5734 11.8742 11.8742 13.5504 13.5504 13.7892 13.7892 13.8470 13.8470 13.9047 13.9047 k = 0.0526 0.0304 0.4477 ( 4092 PWs) bands (ev): -25.5833 -25.5833 -15.0008 -15.0008 -11.8259 -11.8259 -11.7828 -11.7828 -11.6290 -11.6290 -10.3164 -10.3164 -10.3110 -10.3110 -8.4157 -8.4157 -7.3218 -7.3218 -7.3068 -7.3068 -5.5653 -5.5653 -0.4910 -0.4910 -0.2591 -0.2591 0.9583 0.9583 0.9991 0.9991 1.0538 1.0538 1.1066 1.1066 4.1065 4.1065 4.2802 4.2802 4.3462 4.3462 4.4761 4.4761 4.7868 4.7868 4.8105 4.8105 4.8444 4.8444 5.2736 5.2736 5.3194 5.3194 5.7212 5.7212 5.7393 5.7393 10.5845 10.5845 11.8758 11.8758 13.5570 13.5570 13.7923 13.7923 13.8468 13.8468 13.9195 13.9195 k = 0.0658 0.0380 0.4477 ( 4088 PWs) bands (ev): -25.5833 -25.5833 -14.9932 -14.9932 -11.8428 -11.8428 -11.7891 -11.7891 -11.6230 -11.6230 -10.3211 -10.3211 -10.3143 -10.3143 -8.4135 -8.4135 -7.3214 -7.3214 -7.3042 -7.3042 -5.5383 -5.5383 -0.4951 -0.4951 -0.2763 -0.2763 0.9632 0.9632 0.9987 0.9987 1.0745 1.0745 1.1096 1.1096 4.0912 4.0912 4.2521 4.2521 4.3352 4.3352 4.4870 4.4870 4.7914 4.7914 4.8242 4.8242 4.8798 4.8798 5.2412 5.2412 5.3050 5.3050 5.7234 5.7234 5.7412 5.7412 10.5984 10.5984 11.8779 11.8779 13.5651 13.5651 13.7946 13.7946 13.8471 13.8471 13.9400 13.9400 k = 0.0789 0.0456 0.4477 ( 4084 PWs) bands (ev): -25.5833 -25.5833 -14.9838 -14.9838 -11.8644 -11.8644 -11.7952 -11.7952 -11.6160 -11.6160 -10.3271 -10.3271 -10.3181 -10.3181 -8.4108 -8.4108 -7.3209 -7.3209 -7.3010 -7.3010 -5.5058 -5.5058 -0.4995 -0.4995 -0.2970 -0.2970 0.9666 0.9666 0.9966 0.9966 1.0997 1.0997 1.1169 1.1169 4.0627 4.0627 4.2336 4.2336 4.3224 4.3224 4.5002 4.5002 4.7965 4.7965 4.8402 4.8402 4.9171 4.9171 5.2026 5.2026 5.2894 5.2894 5.7252 5.7252 5.7429 5.7429 10.6150 10.6150 11.8803 11.8803 13.5746 13.5746 13.7955 13.7955 13.8483 13.8483 13.9664 13.9664 k = 0.0921 0.0532 0.4477 ( 4080 PWs) bands (ev): -25.5832 -25.5832 -14.9728 -14.9728 -11.8903 -11.8903 -11.8011 -11.8011 -11.6083 -11.6083 -10.3342 -10.3342 -10.3225 -10.3225 -8.4077 -8.4077 -7.3204 -7.3204 -7.2970 -7.2970 -5.4679 -5.4679 -0.5038 -0.5038 -0.3212 -0.3212 0.9677 0.9677 0.9936 0.9936 1.1152 1.1152 1.1424 1.1424 4.0205 4.0205 4.2259 4.2259 4.3083 4.3083 4.5155 4.5155 4.8021 4.8021 4.8580 4.8580 4.9549 4.9549 5.1584 5.1584 5.2728 5.2728 5.7264 5.7264 5.7440 5.7440 10.6340 10.6340 11.8829 11.8829 13.5855 13.5855 13.7946 13.7946 13.8510 13.8510 13.9986 13.9986 k = 0.1053 0.0608 0.4477 ( 4080 PWs) bands (ev): -25.5831 -25.5831 -14.9601 -14.9601 -11.9203 -11.9203 -11.8070 -11.8070 -11.5998 -11.5998 -10.3423 -10.3423 -10.3273 -10.3273 -8.4043 -8.4043 -7.3199 -7.3199 -7.2925 -7.2925 -5.4249 -5.4249 -0.5079 -0.5079 -0.3488 -0.3488 0.9652 0.9652 0.9916 0.9916 1.1247 1.1247 1.1812 1.1812 3.9682 3.9682 4.2262 4.2262 4.2930 4.2930 4.5328 4.5328 4.8082 4.8082 4.8775 4.8775 4.9923 4.9923 5.1096 5.1096 5.2560 5.2560 5.7268 5.7268 5.7445 5.7445 10.6550 10.6550 11.8857 11.8857 13.5976 13.5976 13.7919 13.7919 13.8554 13.8554 14.0364 14.0364 k = 0.1184 0.0684 0.4477 ( 4080 PWs) bands (ev): -25.5831 -25.5831 -14.9458 -14.9458 -11.9539 -11.9539 -11.8127 -11.8127 -11.5907 -11.5907 -10.3514 -10.3514 -10.3325 -10.3325 -8.4005 -8.4005 -7.3193 -7.3193 -7.2873 -7.2873 -5.3770 -5.3770 -0.5113 -0.5113 -0.3796 -0.3796 0.9580 0.9580 0.9922 0.9922 1.1351 1.1351 1.2258 1.2258 3.9091 3.9091 4.2313 4.2313 4.2768 4.2768 4.5521 4.5521 4.8147 4.8147 4.8981 4.8981 5.0275 5.0275 5.0574 5.0574 5.2399 5.2399 5.7264 5.7264 5.7440 5.7440 10.6777 10.6777 11.8886 11.8886 13.6108 13.6108 13.7878 13.7878 13.8617 13.8617 14.0793 14.0793 k = 0.1316 0.0760 0.4477 ( 4072 PWs) bands (ev): -25.5830 -25.5830 -14.9298 -14.9298 -11.9910 -11.9910 -11.8184 -11.8184 -11.5811 -11.5811 -10.3615 -10.3615 -10.3382 -10.3382 -8.3964 -8.3964 -7.3186 -7.3186 -7.2815 -7.2815 -5.3246 -5.3246 -0.5139 -0.5139 -0.4135 -0.4135 0.9471 0.9471 0.9950 0.9950 1.1468 1.1468 1.2746 1.2746 3.8456 3.8456 4.2388 4.2388 4.2601 4.2601 4.5730 4.5730 4.8215 4.8215 4.9190 4.9190 5.0004 5.0004 5.0615 5.0615 5.2265 5.2265 5.7249 5.7249 5.7426 5.7426 10.7019 10.7019 11.8914 11.8914 13.6250 13.6250 13.7826 13.7826 13.8700 13.8700 14.1270 14.1270 k = 0.1447 0.0836 0.4477 ( 4076 PWs) bands (ev): -25.5829 -25.5829 -14.9122 -14.9122 -12.0312 -12.0312 -11.8241 -11.8241 -11.5711 -11.5711 -10.3723 -10.3723 -10.3444 -10.3444 -8.3920 -8.3920 -7.3179 -7.3179 -7.2753 -7.2753 -5.2679 -5.2679 -0.5155 -0.5155 -0.4503 -0.4503 0.9338 0.9338 0.9992 0.9992 1.1599 1.1599 1.3268 1.3268 3.7789 3.7789 4.2401 4.2401 4.2505 4.2505 4.5954 4.5954 4.8285 4.8285 4.9268 4.9268 4.9560 4.9560 5.0871 5.0871 5.2192 5.2192 5.7226 5.7226 5.7402 5.7402 10.7273 10.7273 11.8941 11.8941 13.6400 13.6400 13.7768 13.7768 13.8801 13.8801 14.1789 14.1789 k = 0.1579 0.0912 0.4477 ( 4076 PWs) bands (ev): -25.5828 -25.5828 -14.8930 -14.8930 -12.0742 -12.0742 -11.8296 -11.8296 -11.5606 -11.5606 -10.3840 -10.3840 -10.3509 -10.3509 -8.3874 -8.3874 -7.3171 -7.3171 -7.2686 -7.2686 -5.2073 -5.2073 -0.5162 -0.5162 -0.4894 -0.4894 0.9189 0.9189 1.0044 1.0044 1.1741 1.1741 1.3819 1.3819 3.7099 3.7099 4.2229 4.2229 4.2597 4.2597 4.6191 4.6191 4.8352 4.8352 4.8743 4.8743 4.9706 4.9706 5.1008 5.1008 5.2237 5.2237 5.7192 5.7192 5.7368 5.7368 10.7535 10.7535 11.8966 11.8966 13.6558 13.6558 13.7708 13.7708 13.8923 13.8923 14.2345 14.2345 k = 0.1711 0.0988 0.4477 ( 4076 PWs) bands (ev): -25.5827 -25.5827 -14.8723 -14.8723 -12.1199 -12.1199 -11.8351 -11.8351 -11.5499 -11.5499 -10.3963 -10.3963 -10.3577 -10.3577 -8.3826 -8.3826 -7.3161 -7.3161 -7.2614 -7.2614 -5.1430 -5.1430 -0.5344 -0.5344 -0.5121 -0.5121 0.9029 0.9029 1.0105 1.0105 1.1892 1.1892 1.4391 1.4391 3.6393 3.6393 4.2040 4.2040 4.2701 4.2701 4.6434 4.6434 4.8097 4.8097 4.8443 4.8443 4.9939 4.9939 5.1007 5.1007 5.2419 5.2419 5.7148 5.7148 5.7324 5.7324 10.7803 10.7803 11.8987 11.8987 13.6719 13.6719 13.7652 13.7652 13.9066 13.9066 14.2932 14.2932 k = 0.1842 0.1064 0.4477 ( 4072 PWs) bands (ev): -25.5827 -25.5827 -14.8500 -14.8500 -12.1679 -12.1679 -11.8404 -11.8404 -11.5388 -11.5388 -10.4093 -10.4093 -10.3648 -10.3648 -8.3777 -8.3777 -7.3151 -7.3151 -7.2539 -7.2539 -5.0754 -5.0754 -0.5783 -0.5783 -0.5098 -0.5098 0.8862 0.8862 1.0173 1.0173 1.2051 1.2051 1.4979 1.4979 3.5676 3.5676 4.1845 4.1845 4.2805 4.2805 4.6658 4.6658 4.7483 4.7483 4.8506 4.8506 5.0182 5.0182 5.0917 5.0917 5.2691 5.2691 5.7095 5.7095 5.7272 5.7272 10.8074 10.8074 11.9003 11.9003 13.6876 13.6876 13.7610 13.7610 13.9230 13.9230 14.3545 14.3545 k = 0.1974 0.1140 0.4477 ( 4068 PWs) bands (ev): -25.5826 -25.5826 -14.8262 -14.8262 -12.2180 -12.2180 -11.8456 -11.8456 -11.5275 -11.5275 -10.4228 -10.4228 -10.3722 -10.3722 -8.3727 -8.3727 -7.3139 -7.3139 -7.2460 -7.2460 -5.0048 -5.0048 -0.6255 -0.6255 -0.5049 -0.5049 0.8690 0.8690 1.0249 1.0249 1.2218 1.2218 1.5577 1.5577 3.4956 3.4956 4.1642 4.1642 4.2904 4.2904 4.6593 4.6593 4.7153 4.7153 4.8573 4.8573 5.0425 5.0425 5.0792 5.0792 5.3006 5.3006 5.7034 5.7034 5.7210 5.7210 10.8347 10.8347 11.9013 11.9013 13.7007 13.7007 13.7604 13.7604 13.9417 13.9417 14.4178 14.4178 k = 0.2105 0.1215 0.4477 ( 4064 PWs) bands (ev): -25.5824 -25.5824 -14.8010 -14.8010 -12.2700 -12.2700 -11.8506 -11.8506 -11.5160 -11.5160 -10.4368 -10.4368 -10.3797 -10.3797 -8.3677 -8.3677 -7.3126 -7.3126 -7.2380 -7.2380 -4.9314 -4.9314 -0.6750 -0.6750 -0.4981 -0.4981 0.8518 0.8518 1.0332 1.0332 1.2389 1.2389 1.6177 1.6177 3.4238 3.4238 4.1431 4.1431 4.2995 4.2995 4.6011 4.6011 4.7343 4.7343 4.8636 4.8636 5.0587 5.0587 5.0735 5.0735 5.3337 5.3337 5.6965 5.6965 5.7140 5.7140 10.8620 10.8620 11.9015 11.9015 13.7082 13.7082 13.7667 13.7667 13.9626 13.9626 14.4825 14.4825 k = 0.2237 0.1291 0.4477 ( 4072 PWs) bands (ev): -25.5823 -25.5823 -14.7743 -14.7743 -12.3236 -12.3236 -11.8555 -11.8555 -11.5043 -11.5043 -10.4512 -10.4512 -10.3873 -10.3873 -8.3626 -8.3626 -7.3113 -7.3113 -7.2297 -7.2297 -4.8558 -4.8558 -0.7266 -0.7266 -0.4893 -0.4893 0.8347 0.8347 1.0423 1.0423 1.2564 1.2564 1.6772 1.6772 3.3529 3.3529 4.1207 4.1207 4.3073 4.3073 4.5358 4.5358 4.7615 4.7615 4.8695 4.8695 5.0475 5.0475 5.0952 5.0952 5.3672 5.3672 5.6889 5.6889 5.7063 5.7063 10.8891 10.8891 11.9009 11.9009 13.7090 13.7090 13.7811 13.7811 13.9858 13.9858 14.5479 14.5479 k = 0.2368 0.1367 0.4477 ( 4076 PWs) bands (ev): -25.5822 -25.5822 -14.7462 -14.7462 -12.3785 -12.3785 -11.8601 -11.8601 -11.4925 -11.4925 -10.4660 -10.4660 -10.3950 -10.3950 -8.3576 -8.3576 -7.3099 -7.3099 -7.2212 -7.2212 -4.7780 -4.7780 -0.7801 -0.7801 -0.4785 -0.4785 0.8179 0.8179 1.0520 1.0520 1.2742 1.2742 1.7351 1.7351 3.2840 3.2840 4.0968 4.0968 4.3137 4.3137 4.4708 4.4708 4.7902 4.7902 4.8750 4.8750 5.0338 5.0338 5.1199 5.1199 5.4005 5.4005 5.6808 5.6808 5.6979 5.6979 10.9158 10.9158 11.8993 11.8993 13.7057 13.7057 13.8010 13.8010 14.0112 14.0112 14.6133 14.6133 k = 0.2500 0.1443 0.4477 ( 4078 PWs) bands (ev): -25.5821 -25.5821 -14.7168 -14.7168 -12.4346 -12.4346 -11.8646 -11.8646 -11.4805 -11.4805 -10.4809 -10.4809 -10.4026 -10.4026 -8.3527 -8.3527 -7.3084 -7.3084 -7.2127 -7.2127 -4.6986 -4.6986 -0.8354 -0.8354 -0.4658 -0.4658 0.8018 0.8018 1.0624 1.0624 1.2922 1.2922 1.7905 1.7905 3.2180 3.2180 4.0706 4.0706 4.3182 4.3182 4.4079 4.4079 4.8195 4.8195 4.8800 4.8800 5.0206 5.0206 5.1446 5.1446 5.4333 5.4333 5.6723 5.6723 5.6889 5.6889 10.9422 10.9422 11.8967 11.8967 13.7007 13.7007 13.8244 13.8244 14.0388 14.0388 14.6781 14.6781 k = 0.2632 0.1519 0.4477 ( 4074 PWs) bands (ev): -25.5820 -25.5820 -14.6862 -14.6862 -12.4916 -12.4916 -11.8689 -11.8689 -11.4686 -11.4686 -10.4961 -10.4961 -10.4103 -10.4103 -8.3478 -8.3478 -7.3069 -7.3069 -7.2042 -7.2042 -4.6178 -4.6178 -0.8923 -0.8923 -0.4514 -0.4514 0.7865 0.7865 1.0734 1.0734 1.3102 1.3102 1.8419 1.8419 3.1563 3.1563 4.0414 4.0414 4.3200 4.3200 4.3496 4.3496 4.8490 4.8490 4.8847 4.8847 5.0081 5.0081 5.1690 5.1690 5.4650 5.4650 5.6637 5.6637 5.6794 5.6794 10.9682 10.9682 11.8929 11.8929 13.6950 13.6950 13.8501 13.8501 14.0685 14.0685 14.7415 14.7415 k = 0.2763 0.1595 0.4477 ( 4066 PWs) bands (ev): -25.5819 -25.5819 -14.6544 -14.6544 -12.5492 -12.5492 -11.8730 -11.8730 -11.4566 -11.4566 -10.5113 -10.5113 -10.4178 -10.4178 -8.3431 -8.3431 -7.3054 -7.3054 -7.1957 -7.1957 -4.5360 -4.5360 -0.9505 -0.9505 -0.4352 -0.4352 0.7722 0.7722 1.0851 1.0851 1.3281 1.3281 1.8877 1.8877 3.1004 3.1004 4.0082 4.0082 4.2923 4.2923 4.3239 4.3239 4.8775 4.8775 4.8900 4.8900 4.9966 4.9966 5.1929 5.1929 5.4954 5.4954 5.6553 5.6553 5.6696 5.6696 10.9937 10.9937 11.8880 11.8880 13.6892 13.6892 13.8777 13.8777 14.1002 14.1002 14.8028 14.8028 k = 0.2895 0.1671 0.4477 ( 4070 PWs) bands (ev): -25.5818 -25.5818 -14.6215 -14.6215 -12.6072 -12.6072 -11.8769 -11.8769 -11.4447 -11.4447 -10.5265 -10.5265 -10.4252 -10.4252 -8.3386 -8.3386 -7.3038 -7.3038 -7.1873 -7.1873 -4.4535 -4.4535 -1.0099 -1.0099 -0.4175 -0.4175 0.7592 0.7592 1.0972 1.0972 1.3459 1.3459 1.9261 1.9261 3.0524 3.0524 3.9702 3.9702 4.2452 4.2452 4.3216 4.3216 4.8909 4.8909 4.9099 4.9099 4.9858 4.9858 5.2162 5.2162 5.5239 5.5239 5.6474 5.6474 5.6598 5.6598 11.0187 11.0187 11.8819 11.8819 13.6835 13.6835 13.9072 13.9072 14.1335 14.1335 14.8612 14.8612 k = 0.3026 0.1747 0.4477 ( 4070 PWs) bands (ev): -25.5817 -25.5817 -14.5876 -14.5876 -12.6654 -12.6654 -11.8806 -11.8806 -11.4329 -11.4329 -10.5416 -10.5416 -10.4324 -10.4324 -8.3342 -8.3342 -7.3023 -7.3023 -7.1791 -7.1791 -4.3708 -4.3708 -1.0702 -1.0702 -0.3984 -0.3984 0.7477 0.7477 1.1098 1.1098 1.3633 1.3633 1.9552 1.9552 3.0140 3.0140 3.9272 3.9272 4.2045 4.2045 4.3178 4.3178 4.8947 4.8947 4.9386 4.9386 4.9759 4.9759 5.2386 5.2386 5.5493 5.5493 5.6400 5.6400 5.6510 5.6510 11.0433 11.0433 11.8744 11.8744 13.6780 13.6780 13.9384 13.9384 14.1684 14.1684 14.9161 14.9161 k = 0.3158 0.1823 0.4477 ( 4086 PWs) bands (ev): -25.5816 -25.5816 -14.5528 -14.5528 -12.7235 -12.7235 -11.8841 -11.8841 -11.4212 -11.4212 -10.5565 -10.5565 -10.4394 -10.4394 -8.3301 -8.3301 -7.3007 -7.3007 -7.1711 -7.1711 -4.2882 -4.2882 -1.1311 -1.1311 -0.3782 -0.3782 0.7378 0.7378 1.1228 1.1228 1.3803 1.3803 1.9729 1.9729 2.9873 2.9873 3.8799 3.8799 4.1704 4.1704 4.3118 4.3118 4.8976 4.8976 4.9655 4.9655 4.9687 4.9687 5.2601 5.2601 5.5694 5.5694 5.6320 5.6320 5.6469 5.6469 11.0674 11.0674 11.8657 11.8657 13.6728 13.6728 13.9713 13.9713 14.2045 14.2045 14.9665 14.9665 k = 0.3289 0.1899 0.4477 ( 4078 PWs) bands (ev): -25.5815 -25.5815 -14.5174 -14.5174 -12.7812 -12.7812 -11.8873 -11.8873 -11.4098 -11.4098 -10.5711 -10.5711 -10.4461 -10.4461 -8.3261 -8.3261 -7.2992 -7.2992 -7.1634 -7.1634 -4.2061 -4.2061 -1.1924 -1.1924 -0.3572 -0.3572 0.7297 0.7297 1.1361 1.1361 1.3967 1.3967 1.9783 1.9783 2.9733 2.9733 3.8297 3.8297 4.1421 4.1421 4.3037 4.3037 4.8995 4.8995 4.9589 4.9589 4.9956 4.9956 5.2806 5.2806 5.5809 5.5809 5.6221 5.6221 5.6522 5.6522 11.0911 11.0911 11.8558 11.8558 13.6681 13.6681 14.0060 14.0060 14.2415 14.2415 15.0116 15.0116 k = 0.3421 0.1975 0.4477 ( 4088 PWs) bands (ev): -25.5814 -25.5814 -14.4814 -14.4814 -12.8382 -12.8382 -11.8903 -11.8903 -11.3987 -11.3987 -10.5853 -10.5853 -10.4524 -10.4524 -8.3225 -8.3225 -7.2978 -7.2978 -7.1560 -7.1560 -4.1251 -4.1251 -1.2537 -1.2537 -0.3356 -0.3356 0.7237 0.7237 1.1494 1.1494 1.4125 1.4125 1.9710 1.9710 2.9724 2.9724 3.7781 3.7781 4.1186 4.1186 4.2934 4.2934 4.8999 4.8999 4.9527 4.9527 5.0230 5.0230 5.2998 5.2998 5.5833 5.5833 5.6112 5.6112 5.6663 5.6663 11.1143 11.1143 11.8448 11.8448 13.6637 13.6637 14.0425 14.0425 14.2790 14.2790 15.0503 15.0503 k = 0.3553 0.2051 0.4477 ( 4084 PWs) bands (ev): -25.5814 -25.5814 -14.4451 -14.4451 -12.8942 -12.8942 -11.8931 -11.8931 -11.3879 -11.3879 -10.5990 -10.5990 -10.4584 -10.4584 -8.3191 -8.3191 -7.2964 -7.2964 -7.1490 -7.1490 -4.0456 -4.0456 -1.3145 -1.3145 -0.3139 -0.3139 0.7199 0.7199 1.1628 1.1628 1.4275 1.4275 1.9521 1.9521 2.9834 2.9834 3.7267 3.7267 4.0989 4.0989 4.2812 4.2812 4.8980 4.8980 4.9490 4.9490 5.0496 5.0496 5.3178 5.3178 5.5807 5.5807 5.6001 5.6001 5.6847 5.6847 11.1370 11.1370 11.8327 11.8327 13.6596 13.6596 14.0809 14.0809 14.3166 14.3166 15.0811 15.0811 k = 0.3684 0.2127 0.4477 ( 4074 PWs) bands (ev): -25.5813 -25.5813 -14.4087 -14.4087 -12.9489 -12.9489 -11.8956 -11.8956 -11.3777 -11.3777 -10.6121 -10.6121 -10.4640 -10.4640 -8.3159 -8.3159 -7.2951 -7.2951 -7.1424 -7.1424 -3.9683 -3.9683 -1.3745 -1.3745 -0.2924 -0.2924 0.7183 0.7183 1.1759 1.1759 1.4416 1.4416 1.9236 1.9236 3.0045 3.0045 3.6765 3.6765 4.0821 4.0821 4.2672 4.2672 4.8936 4.8936 4.9480 4.9480 5.0751 5.0751 5.3342 5.3342 5.5759 5.5759 5.5891 5.5891 5.7042 5.7042 11.1593 11.1593 11.8198 11.8198 13.6560 13.6560 14.1212 14.1212 14.3539 14.3539 15.1012 15.1012 k = 0.3816 0.2203 0.4477 ( 4078 PWs) bands (ev): -25.5812 -25.5812 -14.3726 -14.3726 -13.0018 -13.0018 -11.8979 -11.8979 -11.3679 -11.3679 -10.6245 -10.6245 -10.4691 -10.4691 -8.3131 -8.3131 -7.2939 -7.2939 -7.1363 -7.1363 -3.8938 -3.8938 -1.4329 -1.4329 -0.2714 -0.2714 0.7189 0.7189 1.1887 1.1887 1.4548 1.4548 1.8881 1.8881 3.0332 3.0332 3.6285 3.6285 4.0678 4.0678 4.2517 4.2517 4.8870 4.8870 4.9492 4.9492 5.0995 5.0995 5.3490 5.3490 5.5704 5.5704 5.5785 5.5785 5.7232 5.7232 11.1809 11.1809 11.8061 11.8061 13.6527 13.6527 14.1635 14.1635 14.3903 14.3903 15.1070 15.1070 k = 0.3947 0.2279 0.4477 ( 4062 PWs) bands (ev): -25.5811 -25.5811 -14.3373 -14.3373 -13.0524 -13.0524 -11.9000 -11.9000 -11.3588 -11.3588 -10.6360 -10.6360 -10.4738 -10.4738 -8.3105 -8.3105 -7.2928 -7.2928 -7.1307 -7.1307 -3.8229 -3.8229 -1.4892 -1.4892 -0.2515 -0.2515 0.7218 0.7218 1.2009 1.2009 1.4668 1.4668 1.8481 1.8481 3.0668 3.0668 3.5837 3.5837 4.0555 4.0555 4.2350 4.2350 4.8793 4.8793 4.9518 4.9518 5.1226 5.1226 5.3620 5.3620 5.5642 5.5642 5.5691 5.5691 5.7409 5.7409 11.2018 11.2018 11.7921 11.7921 13.6499 13.6499 14.2078 14.2078 14.4253 14.4253 15.0941 15.0941 k = 0.4079 0.2355 0.4477 ( 4072 PWs) bands (ev): -25.5811 -25.5811 -14.3031 -14.3031 -13.1002 -13.1002 -11.9018 -11.9018 -11.3504 -11.3504 -10.6465 -10.6465 -10.4780 -10.4780 -8.3082 -8.3082 -7.2918 -7.2918 -7.1257 -7.1257 -3.7565 -3.7565 -1.5426 -1.5426 -0.2329 -0.2329 0.7266 0.7266 1.2124 1.2124 1.4777 1.4777 1.8060 1.8060 3.1031 3.1031 3.5426 3.5426 4.0449 4.0449 4.2175 4.2175 4.8711 4.8711 4.9551 4.9551 5.1441 5.1441 5.3732 5.3732 5.5562 5.5562 5.5624 5.5624 5.7571 5.7571 11.2217 11.2217 11.7778 11.7778 13.6473 13.6473 14.2543 14.2543 14.4584 14.4584 15.0619 15.0619 k = 0.4211 0.2431 0.4477 ( 4070 PWs) bands (ev): -25.5810 -25.5810 -14.2707 -14.2707 -13.1445 -13.1445 -11.9034 -11.9034 -11.3429 -11.3429 -10.6559 -10.6559 -10.4817 -10.4817 -8.3062 -8.3062 -7.2910 -7.2910 -7.1213 -7.1213 -3.6954 -3.6954 -1.5921 -1.5921 -0.2160 -0.2160 0.7331 0.7331 1.2229 1.2229 1.4873 1.4873 1.7642 1.7642 3.1397 3.1397 3.5059 3.5059 4.0360 4.0360 4.1998 4.1998 4.8630 4.8630 4.9587 4.9587 5.1638 5.1638 5.3824 5.3824 5.5478 5.5478 5.5576 5.5576 5.7714 5.7714 11.2403 11.2403 11.7638 11.7638 13.6452 13.6452 14.3028 14.3028 14.4889 14.4889 15.0148 15.0148 k = 0.4342 0.2507 0.4477 ( 4066 PWs) bands (ev): -25.5810 -25.5810 -14.2408 -14.2408 -13.1845 -13.1845 -11.9048 -11.9048 -11.3364 -11.3364 -10.6641 -10.6641 -10.4848 -10.4848 -8.3045 -8.3045 -7.2902 -7.2902 -7.1175 -7.1175 -3.6409 -3.6409 -1.6368 -1.6368 -0.2012 -0.2012 0.7407 0.7407 1.2321 1.2321 1.4956 1.4956 1.7245 1.7245 3.1748 3.1748 3.4740 3.4740 4.0286 4.0286 4.1826 4.1826 4.8556 4.8556 4.9622 4.9622 5.1816 5.1816 5.3895 5.3895 5.5401 5.5401 5.5537 5.5537 5.7838 5.7838 11.2573 11.2573 11.7506 11.7506 13.6433 13.6433 14.3533 14.3533 14.5162 14.5162 14.9587 14.9587 k = 0.4474 0.2583 0.4477 ( 4062 PWs) bands (ev): -25.5809 -25.5809 -14.2144 -14.2144 -13.2194 -13.2194 -11.9059 -11.9059 -11.3308 -11.3308 -10.6710 -10.6710 -10.4874 -10.4874 -8.3031 -8.3031 -7.2896 -7.2896 -7.1144 -7.1144 -3.5940 -3.5940 -1.6756 -1.6756 -0.1887 -0.1887 0.7487 0.7487 1.2400 1.2400 1.5025 1.5025 1.6889 1.6889 3.2065 3.2065 3.4473 3.4473 4.0226 4.0226 4.1666 4.1666 4.8490 4.8490 4.9653 4.9653 5.1970 5.1970 5.3946 5.3946 5.5337 5.5337 5.5505 5.5505 5.7940 5.7940 11.2723 11.2723 11.7385 11.7385 13.6418 13.6418 14.4057 14.4057 14.5397 14.5397 14.8980 14.8980 k = 0.4605 0.2659 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1923 -14.1923 -13.2480 -13.2480 -11.9067 -11.9067 -11.3264 -11.3264 -10.6765 -10.6765 -10.4895 -10.4895 -8.3021 -8.3021 -7.2891 -7.2891 -7.1119 -7.1119 -3.5559 -3.5559 -1.7074 -1.7074 -0.1788 -0.1788 0.7563 0.7563 1.2463 1.2463 1.5079 1.5079 1.6591 1.6591 3.2333 3.2333 3.4263 3.4263 4.0180 4.0180 4.1528 4.1528 4.8437 4.8437 4.9679 4.9679 5.2097 5.2097 5.3980 5.3980 5.5287 5.5287 5.5481 5.5481 5.8021 5.8021 11.2848 11.2848 11.7283 11.7283 13.6407 13.6407 14.4597 14.4597 14.5590 14.5590 14.8356 14.8356 k = 0.4737 0.2735 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1756 -14.1756 -13.2694 -13.2694 -11.9073 -11.9073 -11.3232 -11.3232 -10.6805 -10.6805 -10.4910 -10.4910 -8.3013 -8.3013 -7.2887 -7.2887 -7.1101 -7.1101 -3.5277 -3.5277 -1.7310 -1.7310 -0.1716 -0.1716 0.7626 0.7626 1.2509 1.2509 1.5118 1.5118 1.6365 1.6365 3.2535 3.2535 3.4111 3.4111 4.0147 4.0147 4.1421 4.1421 4.8397 4.8397 4.9698 4.9698 5.2192 5.2192 5.3999 5.3999 5.5251 5.5251 5.5463 5.5463 5.8078 5.8078 11.2942 11.2942 11.7205 11.7205 13.6399 13.6399 14.5139 14.5139 14.5743 14.5743 14.7734 14.7734 k = 0.4868 0.2811 0.4477 ( 4048 PWs) bands (ev): -25.5809 -25.5809 -14.1652 -14.1652 -13.2826 -13.2826 -11.9077 -11.9077 -11.3213 -11.3213 -10.6829 -10.6829 -10.4918 -10.4918 -8.3008 -8.3008 -7.2885 -7.2885 -7.1090 -7.1090 -3.5104 -3.5104 -1.7455 -1.7455 -0.1672 -0.1672 0.7668 0.7668 1.2537 1.2537 1.5142 1.5142 1.6224 1.6224 3.2662 3.2662 3.4020 3.4020 4.0127 4.0127 4.1353 4.1353 4.8373 4.8373 4.9710 4.9710 5.2251 5.2251 5.4008 5.4008 5.5230 5.5230 5.5452 5.5452 5.8113 5.8113 11.3001 11.3001 11.7155 11.7155 13.6394 13.6394 14.5604 14.5604 14.5913 14.5913 14.7142 14.7142 k = 0.5000 0.2887 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1616 -14.1616 -13.2871 -13.2871 -11.9078 -11.9078 -11.3206 -11.3206 -10.6837 -10.6837 -10.4921 -10.4921 -8.3007 -8.3007 -7.2885 -7.2885 -7.1087 -7.1087 -3.5045 -3.5045 -1.7505 -1.7505 -0.1657 -0.1657 0.7682 0.7682 1.2546 1.2546 1.5150 1.5150 1.6175 1.6175 3.2705 3.2705 3.3989 3.3989 4.0120 4.0120 4.1330 4.1330 4.8364 4.8364 4.9714 4.9714 5.2271 5.2271 5.4011 5.4011 5.5224 5.5224 5.5449 5.5449 5.8125 5.8125 11.3021 11.3021 11.7138 11.7138 13.6392 13.6392 14.5739 14.5739 14.6167 14.6167 14.6767 14.6767 k = 0.5000 0.2887 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1616 -14.1616 -13.2871 -13.2871 -11.9078 -11.9078 -11.3206 -11.3206 -10.6837 -10.6837 -10.4921 -10.4921 -8.3007 -8.3007 -7.2885 -7.2885 -7.1087 -7.1087 -3.5045 -3.5045 -1.7505 -1.7505 -0.1657 -0.1657 0.7682 0.7682 1.2546 1.2546 1.5150 1.5150 1.6175 1.6175 3.2705 3.2705 3.3989 3.3989 4.0120 4.0120 4.1330 4.1330 4.8364 4.8364 4.9714 4.9714 5.2271 5.2271 5.4011 5.4011 5.5224 5.5224 5.5449 5.5449 5.8125 5.8125 11.3021 11.3021 11.7138 11.7138 13.6392 13.6392 14.5739 14.5739 14.6167 14.6167 14.6767 14.6767 k = 0.4924 0.3018 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1607 -14.1607 -13.2879 -13.2879 -11.9087 -11.9087 -11.3201 -11.3201 -10.6863 -10.6863 -10.4898 -10.4898 -8.3005 -8.3005 -7.2882 -7.2882 -7.1088 -7.1088 -3.5026 -3.5026 -1.7527 -1.7527 -0.1643 -0.1643 0.7654 0.7654 1.2587 1.2587 1.5132 1.5132 1.6195 1.6195 3.2644 3.2644 3.3956 3.3956 4.0166 4.0166 4.1365 4.1365 4.8367 4.8367 4.9712 4.9712 5.2271 5.2271 5.3994 5.3994 5.5184 5.5184 5.5495 5.5495 5.8130 5.8130 11.3026 11.3026 11.7135 11.7135 13.6405 13.6405 14.5568 14.5568 14.6286 14.6286 14.6771 14.6771 k = 0.4848 0.3149 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1578 -14.1578 -13.2903 -13.2903 -11.9114 -11.9114 -11.3185 -11.3185 -10.6936 -10.6936 -10.4834 -10.4834 -8.3000 -8.3000 -7.2874 -7.2874 -7.1092 -7.1092 -3.4970 -3.4970 -1.7593 -1.7593 -0.1601 -0.1601 0.7572 0.7572 1.2707 1.2707 1.5081 1.5081 1.6250 1.6250 3.2466 3.2466 3.3860 3.3860 4.0297 4.0297 4.1468 4.1468 4.8375 4.8375 4.9706 4.9706 5.2268 5.2268 5.3945 5.3945 5.5112 5.5112 5.5591 5.5591 5.8143 5.8143 11.3040 11.3040 11.7126 11.7126 13.6442 13.6442 14.5246 14.5246 14.6448 14.6448 14.6784 14.6784 k = 0.4773 0.3280 0.4477 ( 4064 PWs) bands (ev): -25.5808 -25.5808 -14.1531 -14.1531 -13.2942 -13.2942 -11.9157 -11.9157 -11.3159 -11.3159 -10.7049 -10.7049 -10.4736 -10.4736 -8.2992 -8.2992 -7.2861 -7.2861 -7.1098 -7.1098 -3.4875 -3.4875 -1.7704 -1.7704 -0.1532 -0.1532 0.7445 0.7445 1.2896 1.2896 1.5005 1.5005 1.6335 1.6335 3.2183 3.2183 3.3705 3.3705 4.0502 4.0502 4.1635 4.1635 4.8389 4.8389 4.9697 4.9697 5.2262 5.2262 5.3866 5.3866 5.5042 5.5042 5.5700 5.5700 5.8163 5.8163 11.3063 11.3063 11.7111 11.7111 13.6506 13.6506 14.4878 14.4878 14.6549 14.6549 14.6813 14.6813 k = 0.4697 0.3412 0.4477 ( 4068 PWs) bands (ev): -25.5808 -25.5808 -14.1465 -14.1465 -13.2998 -13.2998 -11.9216 -11.9216 -11.3122 -11.3122 -10.7191 -10.7191 -10.4616 -10.4616 -8.2980 -8.2980 -7.2843 -7.2843 -7.1107 -7.1107 -3.4743 -3.4743 -1.7857 -1.7857 -0.1436 -0.1436 0.7282 0.7282 1.3144 1.3144 1.4912 1.4912 1.6440 1.6440 3.1810 3.1810 3.3501 3.3501 4.0765 4.0765 4.1856 4.1856 4.8408 4.8408 4.9683 4.9683 5.2250 5.2250 5.3759 5.3759 5.4986 5.4986 5.5814 5.5814 5.8187 5.8187 11.3096 11.3096 11.7090 11.7090 13.6594 13.6594 14.4488 14.4488 14.6585 14.6585 14.6840 14.6840 k = 0.4621 0.3543 0.4477 ( 4068 PWs) bands (ev): -25.5808 -25.5808 -14.1381 -14.1381 -13.3070 -13.3070 -11.9288 -11.9288 -11.3075 -11.3075 -10.7354 -10.7354 -10.4481 -10.4481 -8.2966 -8.2966 -7.2820 -7.2820 -7.1118 -7.1118 -3.4573 -3.4573 -1.8053 -1.8053 -0.1313 -0.1313 0.7092 0.7092 1.3437 1.3437 1.4810 1.4810 1.6563 1.6563 3.1364 3.1364 3.3258 3.3258 4.1069 4.1069 4.2122 4.2122 4.8432 4.8432 4.9666 4.9666 5.2228 5.2228 5.3629 5.3629 5.4951 5.4951 5.5928 5.5928 5.8213 5.8213 11.3138 11.3138 11.7063 11.7063 13.6707 13.6707 14.4092 14.4092 14.6582 14.6582 14.6834 14.6834 k = 0.4545 0.3674 0.4477 ( 4072 PWs) bands (ev): -25.5808 -25.5808 -14.1277 -14.1277 -13.3160 -13.3160 -11.9374 -11.9374 -11.3018 -11.3018 -10.7532 -10.7532 -10.4340 -10.4340 -8.2950 -8.2950 -7.2793 -7.2793 -7.1132 -7.1132 -3.4366 -3.4366 -1.8291 -1.8291 -0.1165 -0.1165 0.6886 0.6886 1.3758 1.3758 1.4709 1.4709 1.6700 1.6700 3.0859 3.0859 3.2983 3.2983 4.1400 4.1400 4.2426 4.2426 4.8462 4.8462 4.9644 4.9644 5.2195 5.2195 5.3479 5.3479 5.4940 5.4940 5.6040 5.6040 5.8235 5.8235 11.3189 11.3189 11.7029 11.7029 13.6845 13.6845 14.3699 14.3699 14.6556 14.6556 14.6777 14.6777 k = 0.4470 0.3805 0.4477 ( 4072 PWs) bands (ev): -25.5808 -25.5808 -14.1155 -14.1155 -13.3267 -13.3267 -11.9469 -11.9469 -11.2950 -11.2950 -10.7721 -10.7721 -10.4195 -10.4195 -8.2931 -8.2931 -7.2762 -7.2762 -7.1147 -7.1147 -3.4121 -3.4121 -1.8569 -1.8569 -0.0994 -0.0994 0.6668 0.6668 1.4073 1.4073 1.4640 1.4640 1.6849 1.6849 3.0307 3.0307 3.2686 3.2686 4.1747 4.1747 4.2758 4.2758 4.8496 4.8496 4.9617 4.9617 5.2148 5.2148 5.3314 5.3314 5.4957 5.4957 5.6148 5.6148 5.8252 5.8252 11.3250 11.3250 11.6988 11.6988 13.7008 13.7008 14.3320 14.3320 14.6507 14.6507 14.6671 14.6671 k = 0.4394 0.3936 0.4477 ( 4072 PWs) bands (ev): -25.5808 -25.5808 -14.1015 -14.1015 -13.3392 -13.3392 -11.9572 -11.9572 -11.2873 -11.2873 -10.7917 -10.7917 -10.4053 -10.4053 -8.2911 -8.2911 -7.2727 -7.2727 -7.1164 -7.1164 -3.3840 -3.3840 -1.8886 -1.8886 -0.0799 -0.0799 0.6445 0.6445 1.4241 1.4241 1.4737 1.4737 1.7010 1.7010 2.9718 2.9718 3.2373 3.2373 4.2100 4.2100 4.3113 4.3113 4.8534 4.8534 4.9584 4.9584 5.2086 5.2086 5.3137 5.3137 5.5000 5.5000 5.6252 5.6252 5.8260 5.8260 11.3321 11.3321 11.6939 11.6939 13.7195 13.7195 14.2961 14.2961 14.6412 14.6412 14.6543 14.6543 k = 0.4318 0.4068 0.4477 ( 4068 PWs) bands (ev): -25.5808 -25.5808 -14.0856 -14.0856 -13.3536 -13.3536 -11.9680 -11.9680 -11.2785 -11.2785 -10.8118 -10.8118 -10.3914 -10.3914 -8.2890 -8.2890 -7.2689 -7.2689 -7.1183 -7.1183 -3.3523 -3.3523 -1.9240 -1.9240 -0.0583 -0.0583 0.6219 0.6219 1.4196 1.4196 1.5063 1.5063 1.7182 1.7182 2.9100 2.9100 3.2051 3.2051 4.2452 4.2452 4.3484 4.3484 4.8576 4.8576 4.9545 4.9545 5.2011 5.2011 5.2953 5.2953 5.5071 5.5071 5.6351 5.6351 5.8256 5.8256 11.3401 11.3401 11.6882 11.6882 13.7406 13.7406 14.2632 14.2632 14.6228 14.6228 14.6439 14.6439 k = 0.4242 0.4199 0.4477 ( 4080 PWs) bands (ev): -25.5807 -25.5807 -14.0678 -14.0678 -13.3700 -13.3700 -11.9791 -11.9791 -11.2688 -11.2688 -10.8322 -10.8322 -10.3782 -10.3782 -8.2868 -8.2868 -7.2649 -7.2649 -7.1202 -7.1202 -3.3171 -3.3171 -1.9630 -1.9630 -0.0348 -0.0348 0.5992 0.5992 1.4088 1.4088 1.5463 1.5463 1.7366 1.7366 2.8459 2.8459 3.1724 3.1724 4.2797 4.2797 4.3865 4.3865 4.8619 4.8619 4.9499 4.9499 5.1924 5.1924 5.2766 5.2766 5.5166 5.5166 5.6443 5.6443 5.8239 5.8239 11.3490 11.3490 11.6816 11.6816 13.7640 13.7640 14.2337 14.2337 14.5980 14.5980 14.6341 14.6341 k = 0.4167 0.4330 0.4477 ( 4080 PWs) bands (ev): -25.5807 -25.5807 -14.0483 -14.0483 -13.3883 -13.3883 -11.9902 -11.9902 -11.2581 -11.2581 -10.8529 -10.8529 -10.3657 -10.3657 -8.2846 -8.2846 -7.2607 -7.2607 -7.1223 -7.1223 -3.2783 -3.2783 -2.0054 -2.0054 -0.0096 -0.0096 0.5766 0.5766 1.3967 1.3967 1.5887 1.5887 1.7562 1.7562 2.7801 2.7801 3.1398 3.1398 4.3131 4.3131 4.4253 4.4253 4.8663 4.8663 4.9445 4.9445 5.1830 5.1830 5.2580 5.2580 5.5282 5.5282 5.6528 5.6528 5.8207 5.8207 11.3589 11.3589 11.6742 11.6742 13.7897 13.7897 14.2082 14.2082 14.5691 14.5691 14.6225 14.6225 k = 0.4091 0.4461 0.4477 ( 4078 PWs) bands (ev): -25.5807 -25.5807 -14.0269 -14.0269 -13.4087 -13.4087 -12.0011 -12.0011 -11.2464 -11.2464 -10.8738 -10.8738 -10.3541 -10.3541 -8.2825 -8.2825 -7.2565 -7.2565 -7.1244 -7.1244 -3.2361 -3.2361 -2.0510 -2.0510 0.0171 0.0171 0.5541 0.5541 1.3843 1.3843 1.6322 1.6322 1.7770 1.7770 2.7130 2.7130 3.1077 3.1077 4.3448 4.3448 4.4645 4.4645 4.8704 4.8704 4.9383 4.9383 5.1730 5.1730 5.2399 5.2399 5.5416 5.5416 5.6606 5.6606 5.8159 5.8159 11.3697 11.3697 11.6658 11.6658 13.8176 13.8176 14.1872 14.1872 14.5374 14.5374 14.6083 14.6083 k = 0.4015 0.4593 0.4477 ( 4078 PWs) bands (ev): -25.5807 -25.5807 -14.0037 -14.0037 -13.4311 -13.4311 -12.0115 -12.0115 -11.2339 -11.2339 -10.8948 -10.8948 -10.3436 -10.3436 -8.2804 -8.2804 -7.2522 -7.2522 -7.1265 -7.1265 -3.1905 -3.1905 -2.0998 -2.0998 0.0452 0.0452 0.5316 0.5316 1.3720 1.3720 1.6762 1.6762 1.7989 1.7989 2.6451 2.6451 3.0764 3.0764 4.3747 4.3747 4.5036 4.5036 4.8741 4.8741 4.9310 4.9310 5.1630 5.1630 5.2225 5.2225 5.5564 5.5564 5.6676 5.6676 5.8094 5.8094 11.3815 11.3815 11.6564 11.6564 13.8475 13.8475 14.1711 14.1711 14.5036 14.5036 14.5908 14.5908 k = 0.3939 0.4724 0.4477 ( 4078 PWs) bands (ev): -25.5806 -25.5806 -13.9788 -13.9788 -13.4555 -13.4555 -12.0213 -12.0213 -11.2204 -11.2204 -10.9159 -10.9159 -10.3341 -10.3341 -8.2784 -8.2784 -7.2480 -7.2480 -7.1286 -7.1286 -3.1417 -3.1417 -2.1514 -2.1514 0.0743 0.0743 0.5091 0.5091 1.3603 1.3603 1.7202 1.7202 1.8220 1.8220 2.5766 2.5766 3.0465 3.0465 4.4023 4.4023 4.5424 4.5424 4.8769 4.8769 4.9226 4.9226 5.1534 5.1534 5.2064 5.2064 5.5722 5.5722 5.6737 5.6737 5.8014 5.8014 11.3941 11.3941 11.6460 11.6460 13.8793 13.8793 14.1601 14.1601 14.4682 14.4682 14.5697 14.5697 k = 0.3864 0.4855 0.4477 ( 4082 PWs) bands (ev): -25.5806 -25.5806 -13.9521 -13.9521 -13.4820 -13.4820 -12.0302 -12.0302 -11.2060 -11.2060 -10.9369 -10.9369 -10.3257 -10.3257 -8.2766 -8.2766 -7.2440 -7.2440 -7.1306 -7.1306 -3.0898 -3.0898 -2.2058 -2.2058 0.1042 0.1042 0.4865 0.4865 1.3493 1.3493 1.7639 1.7639 1.8462 1.8462 2.5080 2.5080 3.0182 3.0182 4.4274 4.4274 4.5806 4.5806 4.8785 4.8785 4.9132 4.9132 5.1447 5.1447 5.1916 5.1916 5.5888 5.5888 5.6791 5.6791 5.7919 5.7919 11.4077 11.4077 11.6345 11.6345 13.9128 13.9128 14.1546 14.1546 14.4319 14.4319 14.5447 14.5447 k = 0.3788 0.4986 0.4477 ( 4070 PWs) bands (ev): -25.5806 -25.5806 -13.9237 -13.9237 -13.5104 -13.5104 -12.0381 -12.0381 -11.1909 -11.1909 -10.9579 -10.9579 -10.3185 -10.3185 -8.2749 -8.2749 -7.2403 -7.2403 -7.1324 -7.1324 -3.0349 -3.0349 -2.2628 -2.2628 0.1346 0.1346 0.4638 0.4638 1.3392 1.3392 1.8068 1.8068 1.8716 1.8716 2.4396 2.4396 2.9921 2.9921 4.4498 4.4498 4.6181 4.6181 4.8782 4.8782 4.9028 4.9028 5.1373 5.1373 5.1786 5.1786 5.6056 5.6056 5.6836 5.6836 5.7811 5.7811 11.4220 11.4220 11.6220 11.6220 13.9478 13.9478 14.1547 14.1547 14.3952 14.3952 14.5158 14.5158 k = 0.3712 0.5117 0.4477 ( 4070 PWs) bands (ev): -25.5806 -25.5806 -13.8936 -13.8936 -13.5407 -13.5407 -12.0450 -12.0450 -11.1749 -11.1749 -10.9788 -10.9788 -10.3124 -10.3124 -8.2735 -8.2735 -7.2369 -7.2369 -7.1340 -7.1340 -2.9772 -2.9772 -2.3222 -2.3222 0.1652 0.1652 0.4407 0.4407 1.3302 1.3302 1.8485 1.8485 1.8982 1.8982 2.3718 2.3718 2.9686 2.9686 4.4693 4.4693 4.6545 4.6545 4.8750 4.8750 4.8923 4.8923 5.1315 5.1315 5.1674 5.1674 5.6226 5.6226 5.6872 5.6872 5.7692 5.7692 11.4373 11.4373 11.6084 11.6084 13.9838 13.9838 14.1603 14.1603 14.3584 14.3584 14.4837 14.4837 k = 0.3636 0.5249 0.4477 ( 4070 PWs) bands (ev): -25.5806 -25.5806 -13.8617 -13.8617 -13.5729 -13.5729 -12.0506 -12.0506 -11.1581 -11.1581 -10.9996 -10.9996 -10.3076 -10.3076 -8.2723 -8.2723 -7.2340 -7.2340 -7.1354 -7.1354 -2.9167 -2.9167 -2.3839 -2.3839 0.1958 0.1958 0.4172 0.4172 1.3226 1.3226 1.8882 1.8882 1.9262 1.9262 2.3050 2.3050 2.9481 2.9481 4.4855 4.4855 4.6897 4.6897 4.8673 4.8673 4.8833 4.8833 5.1276 5.1276 5.1579 5.1579 5.6392 5.6392 5.6900 5.6900 5.7565 5.7565 11.4533 11.4533 11.5937 11.5937 14.0204 14.0204 14.1712 14.1712 14.3224 14.3224 14.4491 14.4491 k = 0.3561 0.5380 0.4477 ( 4064 PWs) bands (ev): -25.5806 -25.5806 -13.8283 -13.8283 -13.6069 -13.6069 -12.0550 -12.0550 -11.1407 -11.1407 -11.0201 -11.0201 -10.3038 -10.3038 -8.2713 -8.2713 -7.2317 -7.2317 -7.1365 -7.1365 -2.8537 -2.8537 -2.4478 -2.4478 0.2260 0.2260 0.3932 0.3932 1.3165 1.3165 1.9248 1.9248 1.9561 1.9561 2.2396 2.2396 2.9312 2.9312 4.4984 4.4984 4.7232 4.7232 4.8551 4.8551 4.8757 4.8757 5.1256 5.1256 5.1503 5.1503 5.6552 5.6552 5.6920 5.6920 5.7434 5.7434 11.4702 11.4702 11.5780 11.5780 14.0570 14.0570 14.1863 14.1863 14.2883 14.2883 14.4132 14.4132 k = 0.3485 0.5511 0.4477 ( 4054 PWs) bands (ev): -25.5805 -25.5805 -13.7932 -13.7932 -13.6424 -13.6424 -12.0582 -12.0582 -11.1228 -11.1228 -11.0402 -11.0402 -10.3012 -10.3012 -8.2706 -8.2706 -7.2300 -7.2300 -7.1372 -7.1372 -2.7884 -2.7884 -2.5137 -2.5137 0.2553 0.2553 0.3688 0.3688 1.3120 1.3120 1.9575 1.9575 1.9872 1.9872 2.1769 2.1769 2.9184 2.9184 4.5079 4.5079 4.7546 4.7546 4.8406 4.8406 4.8681 4.8681 5.1253 5.1253 5.1443 5.1443 5.6700 5.6700 5.6935 5.6935 5.7303 5.7303 11.4878 11.4878 11.5612 11.5612 14.0927 14.0927 14.2009 14.2009 14.2609 14.2609 14.3776 14.3776 k = 0.3409 0.5642 0.4477 ( 4058 PWs) bands (ev): -25.5805 -25.5805 -13.7566 -13.7566 -13.6794 -13.6794 -12.0601 -12.0601 -11.1051 -11.1051 -11.0593 -11.0593 -10.2997 -10.2997 -8.2702 -8.2702 -7.2290 -7.2290 -7.1377 -7.1377 -2.7209 -2.7209 -2.5815 -2.5815 0.2828 0.2828 0.3444 0.3444 1.3093 1.3093 1.9865 1.9865 2.0153 2.0153 2.1206 2.1206 2.9103 2.9103 4.5136 4.5136 4.7822 4.7822 4.8258 4.8258 4.8604 4.8604 5.1263 5.1263 5.1402 5.1402 5.6814 5.6814 5.6961 5.6961 5.7181 5.7181 11.5060 11.5060 11.5435 11.5435 14.1252 14.1252 14.1975 14.1975 14.2565 14.2565 14.3454 14.3454 k = 0.3333 0.5774 0.4477 ( 4062 PWs) bands (ev): -25.5805 -25.5805 -13.7224 -13.7224 -13.7137 -13.7137 -12.0607 -12.0607 -11.0935 -11.0935 -11.0713 -11.0713 -10.2992 -10.2992 -8.2700 -8.2700 -7.2287 -7.2287 -7.1378 -7.1378 -2.6552 -2.6552 -2.6472 -2.6472 0.3003 0.3003 0.3281 0.3281 1.3084 1.3084 2.0079 2.0079 2.0224 2.0224 2.0924 2.0924 2.9075 2.9075 4.5156 4.5156 4.7970 4.7970 4.8171 4.8171 4.8559 4.8559 5.1270 5.1270 5.1385 5.1385 5.6852 5.6852 5.7006 5.7006 5.7103 5.7103 11.5247 11.5247 11.5249 11.5249 14.1434 14.1434 14.1849 14.1849 14.2654 14.2654 14.3284 14.3284 k = 0.3333 0.5774 0.4477 ( 4062 PWs) bands (ev): -25.5805 -25.5805 -13.7224 -13.7224 -13.7137 -13.7137 -12.0607 -12.0607 -11.0935 -11.0935 -11.0713 -11.0713 -10.2992 -10.2992 -8.2700 -8.2700 -7.2287 -7.2287 -7.1378 -7.1378 -2.6552 -2.6552 -2.6472 -2.6472 0.3003 0.3003 0.3281 0.3281 1.3084 1.3084 2.0079 2.0079 2.0224 2.0224 2.0924 2.0924 2.9075 2.9075 4.5156 4.5156 4.7970 4.7970 4.8171 4.8171 4.8559 4.8559 5.1270 5.1270 5.1385 5.1385 5.6852 5.6852 5.7006 5.7006 5.7103 5.7103 11.5247 11.5247 11.5249 11.5249 14.1434 14.1434 14.1849 14.1849 14.2654 14.2654 14.3284 14.3284 k = 0.3258 0.5642 0.4477 ( 4058 PWs) bands (ev): -25.5805 -25.5805 -13.7579 -13.7579 -13.6780 -13.6780 -12.0601 -12.0601 -11.1052 -11.1052 -11.0592 -11.0592 -10.2997 -10.2997 -8.2702 -8.2702 -7.2290 -7.2290 -7.1377 -7.1377 -2.7226 -2.7226 -2.5797 -2.5797 0.2828 0.2828 0.3443 0.3443 1.3093 1.3093 1.9715 1.9715 2.0412 2.0412 2.1097 2.1097 2.9105 2.9105 4.5136 4.5136 4.7873 4.7873 4.8174 4.8174 4.8640 4.8640 5.1260 5.1260 5.1402 5.1402 5.6828 5.6828 5.6950 5.6950 5.7178 5.7178 11.5053 11.5053 11.5442 11.5442 14.1263 14.1263 14.1967 14.1967 14.2541 14.2541 14.3472 14.3472 k = 0.3182 0.5511 0.4477 ( 4062 PWs) bands (ev): -25.5805 -25.5805 -13.7985 -13.7985 -13.6368 -13.6368 -12.0583 -12.0583 -11.1236 -11.1236 -11.0395 -11.0395 -10.3010 -10.3010 -8.2706 -8.2706 -7.2300 -7.2300 -7.1374 -7.1374 -2.7955 -2.7955 -2.5069 -2.5069 0.2552 0.2552 0.3682 0.3682 1.3119 1.3119 1.9182 1.9182 2.0649 2.0649 2.1379 2.1379 2.9197 2.9197 4.5074 4.5074 4.7727 4.7727 4.8089 4.8089 4.8835 4.8835 5.1237 5.1237 5.1442 5.1442 5.6771 5.6771 5.6891 5.6891 5.7282 5.7282 11.4849 11.4849 11.5640 11.5640 14.0977 14.0977 14.1977 14.1977 14.2481 14.2481 14.3865 14.3865 k = 0.3106 0.5380 0.4477 ( 4070 PWs) bands (ev): -25.5806 -25.5806 -13.8401 -13.8401 -13.5941 -13.5941 -12.0555 -12.0555 -11.1425 -11.1425 -11.0184 -11.0184 -10.3032 -10.3032 -8.2713 -8.2713 -7.2315 -7.2315 -7.1371 -7.1371 -2.8699 -2.8699 -2.4326 -2.4326 0.2254 0.2254 0.3916 0.3916 1.3159 1.3159 1.8644 1.8644 2.0878 2.0878 2.1667 2.1667 2.9353 2.9353 4.4970 4.4970 4.7586 4.7586 4.7962 4.7962 4.9053 4.9053 5.1207 5.1207 5.1491 5.1491 5.6706 5.6706 5.6842 5.6842 5.7378 5.7378 11.4638 11.4638 11.5842 11.5842 14.0681 14.0681 14.1748 14.1748 14.2608 14.2608 14.4345 14.4345 k = 0.3030 0.5249 0.4477 ( 4066 PWs) bands (ev): -25.5806 -25.5806 -13.8824 -13.8824 -13.5499 -13.5499 -12.0516 -12.0516 -11.1614 -11.1614 -10.9966 -10.9966 -10.3062 -10.3062 -8.2724 -8.2724 -7.2335 -7.2335 -7.1367 -7.1367 -2.9457 -2.9457 -2.3571 -2.3571 0.1941 0.1941 0.4138 0.4138 1.3212 1.3212 1.8122 1.8122 2.1101 2.1101 2.1938 2.1938 2.9576 2.9576 4.4823 4.4823 4.7462 4.7462 4.7817 4.7817 4.9263 4.9263 5.1173 5.1173 5.1542 5.1542 5.6649 5.6649 5.6793 5.6793 5.7460 5.7460 11.4421 11.4421 11.6047 11.6047 14.0392 14.0392 14.1467 14.1467 14.2737 14.2737 14.4886 14.4886 k = 0.2955 0.5117 0.4477 ( 4070 PWs) bands (ev): -25.5806 -25.5806 -13.9253 -13.9253 -13.5044 -13.5044 -12.0468 -12.0468 -11.1800 -11.1800 -10.9742 -10.9742 -10.3097 -10.3097 -8.2737 -8.2737 -7.2359 -7.2359 -7.1365 -7.1365 -3.0229 -3.0229 -2.2807 -2.2807 0.1616 0.1616 0.4346 0.4346 1.3273 1.3273 1.7620 1.7620 2.1321 2.1321 2.2185 2.2185 2.9864 2.9864 4.4635 4.4635 4.7358 4.7358 4.7663 4.7663 4.9458 4.9458 5.1134 5.1134 5.1592 5.1592 5.6608 5.6608 5.6740 5.6740 5.7527 5.7527 11.4198 11.4198 11.6253 11.6253 14.0114 14.0114 14.1189 14.1189 14.2814 14.2814 14.5479 14.5479 k = 0.2879 0.4986 0.4477 ( 4082 PWs) bands (ev): -25.5806 -25.5806 -13.9686 -13.9686 -13.4575 -13.4575 -12.0411 -12.0411 -11.1984 -11.1984 -10.9514 -10.9514 -10.3139 -10.3139 -8.2753 -8.2753 -7.2387 -7.2387 -7.1365 -7.1365 -3.1014 -3.1014 -2.2036 -2.2036 0.1278 0.1278 0.4540 0.4540 1.3338 1.3338 1.7142 1.7142 2.1545 2.1545 2.2404 2.2404 3.0215 3.0215 4.4410 4.4410 4.7276 4.7276 4.7504 4.7504 4.9635 4.9635 5.1091 5.1091 5.1636 5.1636 5.6580 5.6580 5.6684 5.6684 5.7577 5.7577 11.3971 11.3971 11.6460 11.6460 13.9851 13.9851 14.0925 14.0925 14.2829 14.2829 14.6120 14.6120 k = 0.2803 0.4855 0.4477 ( 4080 PWs) bands (ev): -25.5807 -25.5807 -14.0123 -14.0123 -13.4094 -13.4094 -12.0347 -12.0347 -11.2164 -11.2164 -10.9281 -10.9281 -10.3184 -10.3184 -8.2772 -8.2772 -7.2417 -7.2417 -7.1367 -7.1367 -3.1810 -3.1810 -2.1259 -2.1259 0.0931 0.0931 0.4722 0.4722 1.3401 1.3401 1.6689 1.6689 2.1779 2.1779 2.2591 2.2591 3.0625 3.0625 4.4153 4.4153 4.7216 4.7216 4.7345 4.7345 4.9792 4.9792 5.1042 5.1042 5.1672 5.1672 5.6551 5.6551 5.6641 5.6641 5.7611 5.7611 11.3740 11.3740 11.6665 11.6665 13.9603 13.9603 14.0681 14.0681 14.2786 14.2786 14.6803 14.6803 k = 0.2727 0.4724 0.4477 ( 4076 PWs) bands (ev): -25.5807 -25.5807 -14.0560 -14.0560 -13.3601 -13.3601 -12.0277 -12.0277 -11.2341 -11.2341 -10.9045 -10.9045 -10.3233 -10.3233 -8.2794 -8.2794 -7.2450 -7.2450 -7.1373 -7.1373 -3.2618 -3.2618 -2.0480 -2.0480 0.0576 0.0576 0.4893 0.4893 1.3457 1.3457 1.6261 1.6261 2.2030 2.2030 2.2745 2.2745 3.1091 3.1091 4.3872 4.3872 4.7143 4.7143 4.7222 4.7222 4.9927 4.9927 5.0990 5.0990 5.1699 5.1699 5.6494 5.6494 5.6636 5.6636 5.7626 5.7626 11.3507 11.3507 11.6868 11.6868 13.9371 13.9371 14.0456 14.0456 14.2692 14.2692 14.7526 14.7526 k = 0.2652 0.4593 0.4477 ( 4074 PWs) bands (ev): -25.5808 -25.5808 -14.0998 -14.0998 -13.3097 -13.3097 -12.0201 -12.0201 -11.2514 -11.2514 -10.8806 -10.8806 -10.3285 -10.3285 -8.2819 -8.2819 -7.2485 -7.2485 -7.1383 -7.1383 -3.3436 -3.3436 -1.9699 -1.9699 0.0214 0.0214 0.5055 0.5055 1.3502 1.3502 1.5858 1.5858 2.2299 2.2299 2.2867 2.2867 3.1605 3.1605 4.3574 4.3574 4.6993 4.6993 4.7197 4.7197 5.0041 5.0041 5.0934 5.0934 5.1715 5.1715 5.6416 5.6416 5.6662 5.6662 5.7624 5.7624 11.3271 11.3271 11.7068 11.7068 13.9155 13.9155 14.0251 14.0251 14.2556 14.2556 14.8284 14.8284 k = 0.2576 0.4461 0.4477 ( 4074 PWs) bands (ev): -25.5808 -25.5808 -14.1435 -14.1435 -13.2582 -13.2582 -12.0120 -12.0120 -11.2683 -11.2683 -10.8565 -10.8565 -10.3338 -10.3338 -8.2847 -8.2847 -7.2521 -7.2521 -7.1398 -7.1398 -3.4264 -3.4264 -1.8919 -1.8919 -0.0152 -0.0152 0.5209 0.5209 1.3530 1.3530 1.5479 1.5479 2.2576 2.2576 2.2972 2.2972 3.2164 3.2164 4.3269 4.3269 4.6828 4.6828 4.7210 4.7210 5.0130 5.0130 5.0874 5.0874 5.1721 5.1721 5.6326 5.6326 5.6705 5.6705 5.7604 5.7604 11.3034 11.3034 11.7263 11.7263 13.8956 13.8956 14.0065 14.0065 14.2385 14.2385 14.9073 14.9073 k = 0.2500 0.4330 0.4477 ( 4064 PWs) bands (ev): -25.5809 -25.5809 -14.1869 -14.1869 -13.2057 -13.2057 -12.0035 -12.0035 -11.2848 -11.2848 -10.8322 -10.8322 -10.3391 -10.3391 -8.2877 -8.2877 -7.2558 -7.2558 -7.1417 -7.1417 -3.5100 -3.5100 -1.8142 -1.8142 -0.0521 -0.0521 0.5358 0.5358 1.3539 1.3539 1.5124 1.5124 2.2774 2.2774 2.3147 2.3147 3.2761 3.2761 4.2964 4.2964 4.6661 4.6661 4.7246 4.7246 5.0194 5.0194 5.0812 5.0812 5.1716 5.1716 5.6229 5.6229 5.6761 5.6761 5.7567 5.7567 11.2796 11.2796 11.7452 11.7452 13.8773 13.8773 13.9898 13.9898 14.2187 14.2187 14.9887 14.9887 k = 0.2424 0.4199 0.4477 ( 4070 PWs) bands (ev): -25.5809 -25.5809 -14.2300 -14.2300 -13.1523 -13.1523 -11.9947 -11.9947 -11.3010 -11.3010 -10.8079 -10.8079 -10.3443 -10.3443 -8.2909 -8.2909 -7.2595 -7.2595 -7.1441 -7.1441 -3.5944 -3.5944 -1.7370 -1.7370 -0.0888 -0.0888 0.5504 0.5504 1.3525 1.3525 1.4792 1.4792 2.2809 2.2809 2.3479 2.3479 3.3392 3.3392 4.2666 4.2666 4.6495 4.6495 4.7304 4.7304 5.0230 5.0230 5.0748 5.0748 5.1701 5.1701 5.6125 5.6125 5.6827 5.6827 5.7513 5.7513 11.2558 11.2558 11.7634 11.7634 13.8607 13.8607 13.9746 13.9746 14.1967 14.1967 15.0716 15.0716 k = 0.2348 0.4068 0.4477 ( 4070 PWs) bands (ev): -25.5810 -25.5810 -14.2727 -14.2727 -13.0980 -13.0980 -11.9857 -11.9857 -11.3168 -11.3168 -10.7834 -10.7834 -10.3494 -10.3494 -8.2944 -8.2944 -7.2633 -7.2633 -7.1471 -7.1471 -3.6794 -3.6794 -1.6604 -1.6604 -0.1253 -0.1253 0.5648 0.5648 1.3489 1.3489 1.4481 1.4481 2.2746 2.2746 2.3900 2.3900 3.4051 3.4051 4.2383 4.2383 4.6330 4.6330 4.7382 4.7382 5.0237 5.0237 5.0682 5.0682 5.1678 5.1678 5.6015 5.6015 5.6898 5.6898 5.7445 5.7445 11.2321 11.2321 11.7807 11.7807 13.8456 13.8456 13.9608 13.9608 14.1732 14.1732 15.1508 15.1509 k = 0.2273 0.3936 0.4477 ( 4070 PWs) bands (ev): -25.5811 -25.5811 -14.3147 -14.3147 -13.0430 -13.0430 -11.9765 -11.9765 -11.3322 -11.3322 -10.7590 -10.7590 -10.3542 -10.3542 -8.2982 -8.2982 -7.2671 -7.2671 -7.1506 -7.1506 -3.7650 -3.7650 -1.5846 -1.5846 -0.1612 -0.1612 0.5792 0.5792 1.3430 1.3430 1.4192 1.4192 2.2619 2.2619 2.4378 2.4378 3.4735 3.4735 4.2120 4.2120 4.6167 4.6167 4.7478 4.7478 5.0212 5.0212 5.0615 5.0615 5.1647 5.1647 5.5899 5.5899 5.6974 5.6974 5.7364 5.7364 11.2083 11.2083 11.7971 11.7971 13.8321 13.8321 13.9482 13.9482 14.1485 14.1485 15.1963 15.1965 k = 0.2197 0.3805 0.4477 ( 4066 PWs) bands (ev): -25.5811 -25.5811 -14.3561 -14.3561 -12.9874 -12.9874 -11.9673 -11.9673 -11.3473 -11.3473 -10.7346 -10.7346 -10.3586 -10.3586 -8.3021 -8.3021 -7.2709 -7.2709 -7.1546 -7.1546 -3.8511 -3.8511 -1.5097 -1.5097 -0.1963 -0.1963 0.5938 0.5938 1.3348 1.3348 1.3923 1.3923 2.2432 2.2432 2.4903 2.4903 3.5438 3.5438 4.1883 4.1883 4.6006 4.6006 4.7593 4.7593 5.0155 5.0155 5.0546 5.0546 5.1610 5.1610 5.5777 5.5777 5.7049 5.7049 5.7273 5.7273 11.1846 11.1846 11.8124 11.8124 13.8201 13.8201 13.9365 13.9365 14.1231 14.1231 15.2119 15.2120 k = 0.2121 0.3674 0.4477 ( 4062 PWs) bands (ev): -25.5812 -25.5812 -14.3968 -14.3968 -12.9312 -12.9312 -11.9581 -11.9581 -11.3620 -11.3620 -10.7104 -10.7104 -10.3626 -10.3626 -8.3063 -8.3063 -7.2746 -7.2746 -7.1591 -7.1591 -3.9374 -3.9374 -1.4360 -1.4360 -0.2304 -0.2304 0.6087 0.6087 1.3244 1.3244 1.3675 1.3675 2.2191 2.2191 2.5470 2.5470 3.6156 3.6156 4.1676 4.1676 4.5849 4.5849 4.7724 4.7724 5.0066 5.0066 5.0477 5.0477 5.1567 5.1567 5.5649 5.5649 5.7107 5.7107 5.7194 5.7194 11.1609 11.1609 11.8266 11.8266 13.8095 13.8095 13.9252 13.9252 14.0974 14.0974 15.2124 15.2124 k = 0.2045 0.3543 0.4477 ( 4086 PWs) bands (ev): -25.5813 -25.5813 -14.4367 -14.4367 -12.8745 -12.8745 -11.9489 -11.9489 -11.3764 -11.3764 -10.6863 -10.6863 -10.3661 -10.3661 -8.3107 -8.3107 -7.2783 -7.2783 -7.1641 -7.1641 -4.0239 -4.0239 -1.3634 -1.3634 -0.2631 -0.2631 0.6239 0.6239 1.3117 1.3117 1.3448 1.3448 2.1895 2.1895 2.6075 2.6075 3.6884 3.6884 4.1501 4.1501 4.5696 4.5696 4.7871 4.7871 4.9944 4.9944 5.0408 5.0408 5.1516 5.1516 5.5513 5.5513 5.7046 5.7046 5.7226 5.7226 11.1372 11.1372 11.8396 11.8396 13.8003 13.8003 13.9142 13.9142 14.0718 14.0718 15.1987 15.1987 k = 0.1970 0.3412 0.4477 ( 4086 PWs) bands (ev): -25.5814 -25.5814 -14.4756 -14.4756 -12.8175 -12.8175 -11.9398 -11.9398 -11.3905 -11.3905 -10.6625 -10.6625 -10.3691 -10.3691 -8.3153 -8.3153 -7.2818 -7.2818 -7.1695 -7.1695 -4.1105 -4.1105 -1.2922 -1.2922 -0.2944 -0.2944 0.6396 0.6396 1.2970 1.2970 1.3244 1.3244 2.1548 2.1548 2.6715 2.6715 3.7619 3.7619 4.1360 4.1360 4.5549 4.5549 4.8031 4.8031 4.9792 4.9792 5.0339 5.0339 5.1457 5.1457 5.5369 5.5369 5.6943 5.6943 5.7298 5.7298 11.1134 11.1134 11.8514 11.8514 13.7923 13.7923 13.9031 13.9031 14.0467 14.0467 15.1716 15.1716 k = 0.1894 0.3280 0.4477 ( 4074 PWs) bands (ev): -25.5815 -25.5815 -14.5136 -14.5136 -12.7603 -12.7603 -11.9309 -11.9309 -11.4043 -11.4043 -10.6390 -10.6390 -10.3714 -10.3714 -8.3200 -8.3200 -7.2853 -7.2853 -7.1755 -7.1755 -4.1969 -4.1969 -1.2225 -1.2225 -0.3240 -0.3240 0.6557 0.6557 1.2804 1.2804 1.3058 1.3058 2.1153 2.1153 2.7386 2.7386 3.8354 3.8354 4.1255 4.1255 4.5411 4.5411 4.8203 4.8203 4.9613 4.9613 5.0272 5.0272 5.1386 5.1386 5.5212 5.5212 5.6841 5.6841 5.7369 5.7369 11.0894 11.0894 11.8620 11.8620 13.7855 13.7855 13.8915 13.8915 14.0225 14.0225 15.1321 15.1321 k = 0.1818 0.3149 0.4477 ( 4070 PWs) bands (ev): -25.5816 -25.5816 -14.5505 -14.5505 -12.7031 -12.7031 -11.9221 -11.9221 -11.4178 -11.4178 -10.6159 -10.6159 -10.3731 -10.3731 -8.3249 -8.3249 -7.2887 -7.2887 -7.1818 -7.1818 -4.2829 -4.2829 -1.1543 -1.1543 -0.3517 -0.3517 0.6724 0.6724 1.2630 1.2630 1.2886 1.2886 2.0714 2.0714 2.8082 2.8082 3.9084 3.9084 4.1184 4.1184 4.5285 4.5285 4.8383 4.8383 4.9410 4.9410 5.0208 5.0208 5.1302 5.1302 5.5042 5.5042 5.6748 5.6748 5.7437 5.7437 11.0653 11.0653 11.8712 11.8712 13.7798 13.7798 13.8792 13.8792 13.9996 13.9996 15.0822 15.0822 k = 0.1742 0.3018 0.4477 ( 4074 PWs) bands (ev): -25.5817 -25.5817 -14.5863 -14.5863 -12.6459 -12.6459 -11.9135 -11.9135 -11.4310 -11.4310 -10.5932 -10.5932 -10.3740 -10.3740 -8.3299 -8.3299 -7.2920 -7.2920 -7.1884 -7.1884 -4.3685 -4.3685 -1.0877 -1.0877 -0.3775 -0.3775 0.6896 0.6896 1.2453 1.2453 1.2720 1.2720 2.0235 2.0235 2.8801 2.8801 3.9800 3.9800 4.1146 4.1146 4.5176 4.5176 4.8566 4.8566 4.9187 4.9187 5.0150 5.0150 5.1203 5.1203 5.4855 5.4855 5.6668 5.6668 5.7499 5.7499 11.0410 11.0410 11.8792 11.8792 13.7749 13.7749 13.8660 13.8660 13.9783 13.9783 15.0238 15.0238 k = 0.1667 0.2887 0.4477 ( 4070 PWs) bands (ev): -25.5818 -25.5818 -14.6210 -14.6210 -12.5889 -12.5889 -11.9051 -11.9051 -11.4440 -11.4440 -10.5711 -10.5711 -10.3743 -10.3743 -8.3350 -8.3350 -7.2951 -7.2951 -7.1954 -7.1954 -4.4533 -4.4533 -1.0229 -1.0229 -0.4011 -0.4011 0.7072 0.7072 1.2278 1.2278 1.2558 1.2558 1.9721 1.9721 2.9539 2.9539 4.0490 4.0490 4.1141 4.1141 4.5093 4.5093 4.8744 4.8744 4.8951 4.8951 5.0102 5.0102 5.1088 5.1088 5.4649 5.4649 5.6607 5.6607 5.7556 5.7556 11.0163 11.0163 11.8859 11.8859 13.7707 13.7707 13.8518 13.8518 13.9589 13.9589 14.9589 14.9589 k = 0.1591 0.2756 0.4477 ( 4078 PWs) bands (ev): -25.5819 -25.5819 -14.6544 -14.6544 -12.5323 -12.5323 -11.8969 -11.8969 -11.4567 -11.4567 -10.5494 -10.5494 -10.3739 -10.3739 -8.3403 -8.3403 -7.2980 -7.2980 -7.2026 -7.2026 -4.5372 -4.5372 -0.9599 -0.9599 -0.4226 -0.4226 0.7253 0.7253 1.2108 1.2108 1.2397 1.2397 1.9178 1.9178 3.0291 3.0291 4.1107 4.1107 4.1196 4.1196 4.5052 4.5052 4.8683 4.8683 4.8927 4.8927 5.0074 5.0074 5.0956 5.0956 5.4423 5.4423 5.6567 5.6567 5.7605 5.7605 10.9913 10.9913 11.8913 11.8913 13.7668 13.7668 13.8370 13.8370 13.9415 13.9415 14.8893 14.8893 k = 0.1515 0.2624 0.4477 ( 4082 PWs) bands (ev): -25.5820 -25.5820 -14.6866 -14.6866 -12.4762 -12.4762 -11.8890 -11.8890 -11.4692 -11.4692 -10.5284 -10.5284 -10.3728 -10.3728 -8.3456 -8.3456 -7.3008 -7.3008 -7.2101 -7.2101 -4.6200 -4.6200 -0.8989 -0.8989 -0.4417 -0.4417 0.7438 0.7438 1.1943 1.1943 1.2240 1.2240 1.8610 1.8610 3.1053 3.1053 4.1208 4.1208 4.1725 4.1725 4.5077 4.5077 4.8422 4.8422 4.9064 4.9064 5.0081 5.0081 5.0808 5.0808 5.4177 5.4177 5.6548 5.6548 5.7648 5.7648 10.9659 10.9659 11.8956 11.8956 13.7625 13.7625 13.8223 13.8223 13.9260 13.9260 14.8166 14.8166 k = 0.1439 0.2493 0.4477 ( 4078 PWs) bands (ev): -25.5821 -25.5821 -14.7175 -14.7175 -12.4208 -12.4208 -11.8812 -11.8812 -11.4815 -11.4815 -10.5081 -10.5081 -10.3710 -10.3710 -8.3509 -8.3509 -7.3034 -7.3034 -7.2177 -7.2177 -4.7013 -4.7013 -0.8398 -0.8398 -0.4586 -0.4586 0.7626 0.7626 1.1783 1.1783 1.2087 1.2087 1.8024 1.8024 3.1823 3.1823 4.1283 4.1283 4.2196 4.2196 4.5201 4.5201 4.8152 4.8152 4.9155 4.9155 5.0138 5.0138 5.0646 5.0646 5.3911 5.3911 5.6550 5.6550 5.7682 5.7682 10.9401 10.9401 11.8988 11.8988 13.7566 13.7566 13.8090 13.8090 13.9124 13.9124 14.7421 14.7421 k = 0.1364 0.2362 0.4477 ( 4082 PWs) bands (ev): -25.5822 -25.5822 -14.7470 -14.7470 -12.3663 -12.3663 -11.8737 -11.8737 -11.4936 -11.4936 -10.4885 -10.4885 -10.3686 -10.3686 -8.3563 -8.3563 -7.3059 -7.3059 -7.2253 -7.2253 -4.7810 -4.7810 -0.7829 -0.7829 -0.4731 -0.4731 0.7815 0.7815 1.1628 1.1628 1.1939 1.1939 1.7425 1.7425 3.2596 3.2596 4.1379 4.1379 4.2528 4.2528 4.5456 4.5456 4.7879 4.7879 4.9188 4.9188 5.0246 5.0246 5.0481 5.0481 5.3626 5.3626 5.6571 5.6571 5.7708 5.7708 10.9138 10.9138 11.9009 11.9009 13.7478 13.7478 13.7990 13.7990 13.9003 13.9003 14.6670 14.6670 k = 0.1288 0.2231 0.4477 ( 4086 PWs) bands (ev): -25.5824 -25.5824 -14.7751 -14.7751 -12.3129 -12.3129 -11.8664 -11.8664 -11.5055 -11.5055 -10.4697 -10.4697 -10.3656 -10.3656 -8.3617 -8.3617 -7.3081 -7.3081 -7.2330 -7.2330 -4.8588 -4.8588 -0.7281 -0.7281 -0.4853 -0.4853 0.8005 0.8005 1.1477 1.1477 1.1797 1.1797 1.6818 1.6818 3.3368 3.3368 4.1493 4.1493 4.2715 4.2715 4.5841 4.5841 4.7612 4.7612 4.9171 4.9171 5.0239 5.0239 5.0469 5.0469 5.3325 5.3325 5.6610 5.6610 5.7726 5.7726 10.8872 10.8872 11.9021 11.9021 13.7354 13.7354 13.7930 13.7930 13.8896 13.8896 14.5921 14.5921 k = 0.1212 0.2099 0.4477 ( 4082 PWs) bands (ev): -25.5825 -25.5825 -14.8018 -14.8018 -12.2609 -12.2609 -11.8593 -11.8593 -11.5171 -11.5171 -10.4517 -10.4517 -10.3621 -10.3621 -8.3670 -8.3670 -7.3101 -7.3101 -7.2407 -7.2407 -4.9344 -4.9344 -0.6756 -0.6756 -0.4953 -0.4953 0.8195 0.8195 1.1330 1.1330 1.1664 1.1664 1.6209 1.6209 3.4137 3.4137 4.1623 4.1623 4.2785 4.2785 4.6306 4.6306 4.7370 4.7370 4.9120 4.9120 5.0056 5.0056 5.0658 5.0658 5.3008 5.3008 5.6662 5.6662 5.7735 5.7735 10.8603 10.8603 11.9023 11.9023 13.7204 13.7204 13.7904 13.7904 13.8802 13.8802 14.5184 14.5184 k = 0.1136 0.1968 0.4477 ( 4080 PWs) bands (ev): -25.5826 -25.5826 -14.8270 -14.8270 -12.2103 -12.2103 -11.8524 -11.8524 -11.5285 -11.5285 -10.4346 -10.4346 -10.3582 -10.3582 -8.3723 -8.3723 -7.3120 -7.3120 -7.2482 -7.2482 -5.0076 -5.0076 -0.6254 -0.6254 -0.5030 -0.5030 0.8382 0.8382 1.1186 1.1186 1.1540 1.1540 1.5603 1.5603 3.4898 3.4898 4.1766 4.1766 4.2780 4.2780 4.6687 4.6687 4.7279 4.7279 4.9049 4.9049 4.9853 4.9853 5.0880 5.0880 5.2678 5.2678 5.6725 5.6725 5.7736 5.7736 10.8333 10.8333 11.9018 11.9018 13.7040 13.7040 13.7899 13.7899 13.8720 13.8720 14.4464 14.4464 k = 0.1061 0.1837 0.4477 ( 4080 PWs) bands (ev): -25.5827 -25.5827 -14.8508 -14.8508 -12.1615 -12.1615 -11.8456 -11.8456 -11.5397 -11.5397 -10.4185 -10.4185 -10.3539 -10.3539 -8.3775 -8.3775 -7.3136 -7.3136 -7.2556 -7.2556 -5.0780 -5.0780 -0.5779 -0.5779 -0.5084 -0.5084 0.8565 0.8565 1.1046 1.1046 1.1425 1.1425 1.5004 1.5004 3.5649 3.5649 4.1919 4.1919 4.2728 4.2728 4.6636 4.6636 4.7657 4.7657 4.8965 4.8965 4.9644 4.9644 5.1114 5.1114 5.2336 5.2336 5.6795 5.6795 5.7729 5.7729 10.8061 10.8061 11.9006 11.9006 13.6873 13.6873 13.7906 13.7906 13.8649 13.8649 14.3768 14.3768 k = 0.0985 0.1706 0.4477 ( 4080 PWs) bands (ev): -25.5827 -25.5827 -14.8730 -14.8730 -12.1147 -12.1147 -11.8390 -11.8390 -11.5507 -11.5507 -10.4033 -10.4033 -10.3494 -10.3494 -8.3825 -8.3825 -7.3151 -7.3151 -7.2627 -7.2627 -5.1454 -5.1454 -0.5337 -0.5337 -0.5111 -0.5111 0.8742 0.8742 1.0910 1.0910 1.1322 1.1322 1.4419 1.4419 3.6386 3.6386 4.2080 4.2080 4.2652 4.2652 4.6416 4.6416 4.8217 4.8217 4.8875 4.8875 4.9435 4.9435 5.1352 5.1352 5.1985 5.1985 5.6868 5.6868 5.7714 5.7714 10.7791 10.7791 11.8989 11.8989 13.6706 13.6706 13.7920 13.7920 13.8590 13.8590 14.3103 14.3103 k = 0.0909 0.1575 0.4477 ( 4084 PWs) bands (ev): -25.5828 -25.5828 -14.8936 -14.8936 -12.0701 -12.0701 -11.8325 -11.8325 -11.5613 -11.5613 -10.3891 -10.3891 -10.3447 -10.3447 -8.3874 -8.3874 -7.3163 -7.3163 -7.2695 -7.2695 -5.2094 -5.2094 -0.5155 -0.5155 -0.4886 -0.4886 0.8911 0.8911 1.0778 1.0778 1.1229 1.1229 1.3853 1.3853 3.7105 3.7105 4.2244 4.2244 4.2565 4.2565 4.6179 4.6179 4.8717 4.8717 4.8860 4.8860 4.9228 4.9228 5.1575 5.1575 5.1644 5.1644 5.6942 5.6942 5.7691 5.7691 10.7525 10.7525 11.8967 11.8967 13.6544 13.6544 13.7937 13.7937 13.8542 13.8542 14.2472 14.2472 k = 0.0833 0.1443 0.4477 ( 4080 PWs) bands (ev): -25.5829 -25.5829 -14.9127 -14.9127 -12.0279 -12.0279 -11.8261 -11.8261 -11.5716 -11.5716 -10.3760 -10.3760 -10.3399 -10.3399 -8.3920 -8.3920 -7.3174 -7.3174 -7.2760 -7.2760 -5.2697 -5.2697 -0.5150 -0.5150 -0.4495 -0.4495 0.9068 0.9068 1.0652 1.0652 1.1147 1.1147 1.3311 1.3311 3.7803 3.7803 4.2394 4.2394 4.2492 4.2492 4.5945 4.5945 4.8657 4.8657 4.9027 4.9027 4.9385 4.9385 5.1268 5.1268 5.1831 5.1831 5.7013 5.7013 5.7661 5.7661 10.7264 10.7264 11.8942 11.8942 13.6389 13.6389 13.7955 13.7955 13.8504 13.8504 14.1881 14.1881 k = 0.0758 0.1312 0.4477 ( 4086 PWs) bands (ev): -25.5830 -25.5830 -14.9302 -14.9302 -11.9885 -11.9885 -11.8198 -11.8198 -11.5815 -11.5815 -10.3640 -10.3640 -10.3351 -10.3351 -8.3964 -8.3964 -7.3183 -7.3183 -7.2821 -7.2821 -5.3261 -5.3261 -0.5136 -0.5136 -0.4128 -0.4128 0.9212 0.9212 1.0532 1.0532 1.1076 1.1076 1.2799 1.2799 3.8474 3.8474 4.2370 4.2370 4.2599 4.2599 4.5723 4.5723 4.8553 4.8553 4.8834 4.8834 4.9891 4.9891 5.0948 5.0948 5.2062 5.2062 5.7077 5.7077 5.7626 5.7626 10.7011 10.7011 11.8914 11.8914 13.6241 13.6241 13.7970 13.7970 13.8477 13.8477 14.1334 14.1334 k = 0.0682 0.1181 0.4477 ( 4074 PWs) bands (ev): -25.5831 -25.5831 -14.9461 -14.9461 -11.9521 -11.9521 -11.8136 -11.8136 -11.5910 -11.5910 -10.3531 -10.3531 -10.3304 -10.3304 -8.4005 -8.4005 -7.3191 -7.3191 -7.2876 -7.2876 -5.3783 -5.3783 -0.5111 -0.5111 -0.3790 -0.3790 0.9339 0.9339 1.0419 1.0419 1.1014 1.1014 1.2325 1.2325 3.9110 3.9110 4.2301 4.2301 4.2762 4.2762 4.5515 4.5515 4.8447 4.8447 4.8653 4.8653 5.0139 5.0139 5.0857 5.0857 5.2284 5.2284 5.7133 5.7133 5.7587 5.7587 10.6771 10.6771 11.8885 11.8885 13.6101 13.6101 13.7981 13.7981 13.8460 13.8460 14.0836 14.0836 k = 0.0606 0.1050 0.4477 ( 4070 PWs) bands (ev): -25.5831 -25.5831 -14.9604 -14.9604 -11.9190 -11.9190 -11.8074 -11.8074 -11.6000 -11.6000 -10.3433 -10.3433 -10.3259 -10.3259 -8.4043 -8.4043 -7.3197 -7.3197 -7.2927 -7.2927 -5.4259 -5.4259 -0.5077 -0.5077 -0.3482 -0.3482 0.9445 0.9445 1.0314 1.0314 1.0959 1.0959 1.1898 1.1898 3.9698 3.9698 4.2256 4.2256 4.2924 4.2924 4.5324 4.5324 4.8341 4.8341 4.8486 4.8486 4.9921 4.9921 5.1197 5.1197 5.2496 5.2496 5.7177 5.7177 5.7544 5.7544 10.6545 10.6545 11.8857 11.8857 13.5972 13.5972 13.7987 13.7987 13.8452 13.8452 14.0390 14.0390 k = 0.0530 0.0919 0.4477 ( 4074 PWs) bands (ev): -25.5832 -25.5832 -14.9730 -14.9730 -11.8894 -11.8894 -11.8014 -11.8014 -11.6085 -11.6085 -10.3348 -10.3348 -10.3216 -10.3216 -8.4078 -8.4078 -7.3203 -7.3203 -7.2972 -7.2972 -5.4687 -5.4687 -0.5037 -0.5037 -0.3208 -0.3208 0.9526 0.9526 1.0219 1.0219 1.0899 1.0899 1.1535 1.1535 4.0218 4.0218 4.2257 4.2257 4.3078 4.3078 4.5152 4.5152 4.8237 4.8237 4.8336 4.8336 4.9567 4.9567 5.1634 5.1634 5.2694 5.2694 5.7207 5.7207 5.7501 5.7501 10.6336 10.6336 11.8828 11.8828 13.5852 13.5852 13.7984 13.7984 13.8450 13.8450 14.0001 14.0001 k = 0.0455 0.0787 0.4477 ( 4070 PWs) bands (ev): -25.5833 -25.5833 -14.9840 -14.9840 -11.8638 -11.8638 -11.7953 -11.7953 -11.6162 -11.6162 -10.3274 -10.3274 -10.3177 -10.3177 -8.4109 -8.4109 -7.3208 -7.3208 -7.3011 -7.3011 -5.5064 -5.5064 -0.4994 -0.4994 -0.2966 -0.2966 0.9578 0.9578 1.0135 1.0135 1.0811 1.0811 1.1268 1.1268 4.0635 4.0635 4.2337 4.2337 4.3221 4.3221 4.5000 4.5000 4.8134 4.8134 4.8206 4.8206 4.9191 4.9191 5.2052 5.2052 5.2877 5.2877 5.7221 5.7221 5.7461 5.7461 10.6147 10.6147 11.8802 11.8802 13.5744 13.5744 13.7973 13.7973 13.8453 13.8453 13.9671 13.9671 k = 0.0379 0.0656 0.4477 ( 4078 PWs) bands (ev): -25.5833 -25.5833 -14.9933 -14.9933 -11.8424 -11.8424 -11.7891 -11.7891 -11.6231 -11.6231 -10.3212 -10.3212 -10.3141 -10.3141 -8.4135 -8.4135 -7.3213 -7.3213 -7.3043 -7.3043 -5.5387 -5.5387 -0.4950 -0.4950 -0.2760 -0.2760 0.9593 0.9593 1.0067 1.0067 1.0669 1.0669 1.1126 1.1126 4.0916 4.0916 4.2525 4.2525 4.3350 4.3350 4.4869 4.4869 4.8033 4.8033 4.8099 4.8099 4.8817 4.8817 5.2426 5.2426 5.3044 5.3044 5.7221 5.7221 5.7426 5.7426 10.5983 10.5983 11.8778 11.8778 13.5650 13.5650 13.7953 13.7953 13.8458 13.8458 13.9402 13.9402 k = 0.0303 0.0525 0.4477 ( 4092 PWs) bands (ev): -25.5833 -25.5833 -15.0009 -15.0009 -11.8257 -11.8257 -11.7828 -11.7828 -11.6291 -11.6291 -10.3164 -10.3164 -10.3109 -10.3109 -8.4157 -8.4157 -7.3218 -7.3218 -7.3068 -7.3068 -5.5655 -5.5655 -0.4909 -0.4909 -0.2590 -0.2590 0.9571 0.9571 1.0019 1.0019 1.0513 1.0513 1.1072 1.1072 4.1067 4.1067 4.2806 4.2806 4.3462 4.3462 4.4760 4.4760 4.7940 4.7940 4.8011 4.8011 4.8461 4.8461 5.2742 5.2742 5.3193 5.3193 5.7208 5.7208 5.7397 5.7397 10.5843 10.5843 11.8758 11.8758 13.5569 13.5569 13.7925 13.7925 13.8464 13.8464 13.9195 13.9195 k = 0.0227 0.0394 0.4477 ( 4088 PWs) bands (ev): -25.5834 -25.5834 -15.0068 -15.0068 -11.8137 -11.8137 -11.7765 -11.7765 -11.6340 -11.6340 -10.3129 -10.3129 -10.3081 -10.3081 -8.4175 -8.4175 -7.3223 -7.3223 -7.3087 -7.3087 -5.5866 -5.5866 -0.4874 -0.4874 -0.2456 -0.2456 0.9520 0.9520 0.9988 0.9988 1.0390 1.0390 1.1055 1.1055 4.1133 4.1133 4.3121 4.3121 4.3553 4.3553 4.4675 4.4675 4.7853 4.7853 4.7939 4.7939 4.8150 4.8150 5.2987 5.2987 5.3324 5.3324 5.7188 5.7188 5.7375 5.7375 10.5733 10.5733 11.8741 11.8741 13.5504 13.5504 13.7892 13.7892 13.8470 13.8470 13.9046 13.9046 k = 0.0152 0.0262 0.4477 ( 4092 PWs) bands (ev): -25.5834 -25.5834 -15.0111 -15.0111 -11.8059 -11.8059 -11.7709 -11.7709 -11.6376 -11.6376 -10.3106 -10.3106 -10.3058 -10.3058 -8.4187 -8.4187 -7.3227 -7.3227 -7.3100 -7.3100 -5.6017 -5.6017 -0.4847 -0.4847 -0.2360 -0.2360 0.9462 0.9462 0.9969 0.9969 1.0310 1.0310 1.1052 1.1052 4.1158 4.1158 4.3405 4.3405 4.3620 4.3620 4.4615 4.4615 4.7745 4.7745 4.7871 4.7871 4.7951 4.7951 5.3154 5.3154 5.3437 5.3437 5.7168 5.7168 5.7358 5.7358 10.5652 10.5652 11.8729 11.8729 13.5456 13.5456 13.7861 13.7861 13.8473 13.8473 13.8949 13.8949 k = 0.0076 0.0131 0.4477 ( 4096 PWs) bands (ev): -25.5834 -25.5834 -15.0136 -15.0136 -11.8017 -11.8017 -11.7671 -11.7671 -11.6399 -11.6399 -10.3092 -10.3092 -10.3044 -10.3044 -8.4195 -8.4195 -7.3230 -7.3230 -7.3107 -7.3107 -5.6109 -5.6109 -0.4830 -0.4830 -0.2302 -0.2302 0.9419 0.9419 0.9958 0.9958 1.0267 1.0267 1.1052 1.1052 4.1166 4.1166 4.3604 4.3604 4.3662 4.3662 4.4578 4.4578 4.7608 4.7608 4.7820 4.7820 4.7890 4.7890 5.3246 5.3246 5.3517 5.3517 5.7154 5.7154 5.7347 5.7347 10.5604 10.5604 11.8722 11.8722 13.5427 13.5427 13.7839 13.7839 13.8475 13.8475 13.8895 13.8895 k = 0.0000 0.0000 0.4477 ( 4102 PWs) bands (ev): -25.5834 -25.5834 -15.0145 -15.0145 -11.8003 -11.8003 -11.7657 -11.7657 -11.6406 -11.6406 -10.3088 -10.3088 -10.3039 -10.3039 -8.4197 -8.4197 -7.3231 -7.3231 -7.3109 -7.3109 -5.6139 -5.6139 -0.4824 -0.4824 -0.2283 -0.2283 0.9403 0.9403 0.9954 0.9954 1.0253 1.0253 1.1053 1.1053 4.1168 4.1168 4.3673 4.3673 4.3680 4.3680 4.4566 4.4566 4.7550 4.7550 4.7804 4.7804 4.7876 4.7876 5.3275 5.3275 5.3546 5.3546 5.7149 5.7149 5.7343 5.7343 10.5587 10.5587 11.8719 11.8719 13.5417 13.5417 13.7831 13.7831 13.8476 13.8476 13.8878 13.8878 k = 0.5000 0.2887 0.4477 ( 4056 PWs) bands (ev): -25.5809 -25.5809 -14.1616 -14.1616 -13.2871 -13.2871 -11.9078 -11.9078 -11.3206 -11.3206 -10.6837 -10.6837 -10.4921 -10.4921 -8.3007 -8.3007 -7.2885 -7.2885 -7.1087 -7.1087 -3.5045 -3.5045 -1.7505 -1.7505 -0.1657 -0.1657 0.7682 0.7682 1.2546 1.2546 1.5150 1.5150 1.6175 1.6175 3.2705 3.2705 3.3989 3.3989 4.0120 4.0120 4.1330 4.1330 4.8364 4.8364 4.9714 4.9714 5.2271 5.2271 5.4011 5.4011 5.5224 5.5224 5.5449 5.5449 5.8125 5.8125 11.3021 11.3021 11.7138 11.7138 13.6392 13.6392 14.5739 14.5739 14.6167 14.6167 14.6767 14.6767 k = 0.5000 0.2887 0.4322 ( 4048 PWs) bands (ev): -25.5809 -25.5809 -14.1617 -14.1617 -13.2871 -13.2871 -11.9081 -11.9081 -11.3202 -11.3202 -10.6842 -10.6842 -10.4914 -10.4914 -8.3007 -8.3007 -7.2884 -7.2884 -7.1091 -7.1091 -3.5049 -3.5049 -1.7501 -1.7501 -0.1653 -0.1653 0.7682 0.7682 1.2548 1.2548 1.5137 1.5137 1.6185 1.6185 3.2705 3.2705 3.3981 3.3981 4.0118 4.0118 4.1339 4.1339 4.8380 4.8380 4.9704 4.9704 5.2259 5.2259 5.4019 5.4019 5.5128 5.5128 5.5541 5.5541 5.8123 5.8123 11.3026 11.3026 11.7122 11.7122 13.6398 13.6398 14.5734 14.5734 14.6176 14.6176 14.6772 14.6772 k = 0.5000 0.2887 0.4168 ( 4052 PWs) bands (ev): -25.5809 -25.5809 -14.1621 -14.1621 -13.2868 -13.2868 -11.9088 -11.9088 -11.3189 -11.3189 -10.6858 -10.6858 -10.4893 -10.4893 -8.3009 -8.3009 -7.2883 -7.2883 -7.1104 -7.1104 -3.5061 -3.5061 -1.7490 -1.7490 -0.1639 -0.1639 0.7682 0.7682 1.2555 1.2555 1.5099 1.5099 1.6214 1.6214 3.2705 3.2705 3.3955 3.3955 4.0112 4.0112 4.1368 4.1368 4.8427 4.8427 4.9675 4.9675 5.2223 5.2223 5.4044 5.4044 5.4967 5.4967 5.5691 5.5691 5.8117 5.8117 11.3041 11.3041 11.7072 11.7072 13.6415 13.6415 14.5722 14.5722 14.6200 14.6200 14.6787 14.6787 k = 0.5000 0.2887 0.4013 ( 4060 PWs) bands (ev): -25.5809 -25.5809 -14.1627 -14.1627 -13.2864 -13.2864 -11.9099 -11.9099 -11.3169 -11.3169 -10.6883 -10.6883 -10.4859 -10.4859 -8.3012 -8.3012 -7.2881 -7.2881 -7.1125 -7.1125 -3.5080 -3.5080 -1.7473 -1.7473 -0.1616 -0.1616 0.7682 0.7682 1.2565 1.2565 1.5036 1.5036 1.6261 1.6261 3.2705 3.2705 3.3912 3.3912 4.0100 4.0100 4.1415 4.1415 4.8504 4.8504 4.9629 4.9629 5.2164 5.2164 5.4084 5.4084 5.4796 5.4796 5.5844 5.5844 5.8108 5.8108 11.3066 11.3066 11.6992 11.6992 13.6441 13.6441 14.5704 14.5704 14.6238 14.6238 14.6813 14.6813 k = 0.5000 0.2887 0.3859 ( 4062 PWs) bands (ev): -25.5809 -25.5809 -14.1635 -14.1635 -13.2858 -13.2858 -11.9115 -11.9115 -11.3140 -11.3140 -10.6917 -10.6917 -10.4811 -10.4811 -8.3017 -8.3017 -7.2879 -7.2879 -7.1153 -7.1153 -3.5107 -3.5107 -1.7449 -1.7449 -0.1584 -0.1584 0.7682 0.7682 1.2580 1.2580 1.4950 1.4950 1.6326 1.6326 3.2704 3.2704 3.3854 3.3854 4.0085 4.0085 4.1477 4.1477 4.8610 4.8610 4.9567 4.9567 5.2082 5.2082 5.4135 5.4135 5.4625 5.4625 5.5991 5.5991 5.8096 5.8096 11.3100 11.3100 11.6882 11.6882 13.6475 13.6475 14.5681 14.5681 14.6287 14.6287 14.6849 14.6849 k = 0.5000 0.2887 0.3705 ( 4058 PWs) bands (ev): -25.5809 -25.5809 -14.1645 -14.1645 -13.2850 -13.2850 -11.9134 -11.9134 -11.3104 -11.3104 -10.6959 -10.6959 -10.4753 -10.4753 -8.3023 -8.3023 -7.2875 -7.2875 -7.1189 -7.1189 -3.5141 -3.5141 -1.7418 -1.7418 -0.1543 -0.1543 0.7683 0.7683 1.2598 1.2598 1.4842 1.4842 1.6408 1.6408 3.2704 3.2704 3.3783 3.3783 4.0066 4.0066 4.1552 4.1552 4.8746 4.8746 4.9492 4.9492 5.1977 5.1977 5.4193 5.4193 5.4456 5.4456 5.6131 5.6131 5.8082 5.8082 11.3144 11.3144 11.6744 11.6744 13.6513 13.6513 14.5657 14.5657 14.6345 14.6345 14.6896 14.6896 k = 0.5000 0.2887 0.3550 ( 4068 PWs) bands (ev): -25.5809 -25.5809 -14.1657 -14.1657 -13.2841 -13.2841 -11.9158 -11.9158 -11.3061 -11.3061 -10.7008 -10.7008 -10.4684 -10.4684 -8.3031 -8.3031 -7.2872 -7.2872 -7.1231 -7.1231 -3.5181 -3.5181 -1.7382 -1.7382 -0.1495 -0.1495 0.7683 0.7683 1.2620 1.2620 1.4715 1.4715 1.6506 1.6506 3.2704 3.2704 3.3701 3.3701 4.0042 4.0042 4.1637 4.1637 4.8907 4.8907 4.9408 4.9408 5.1851 5.1851 5.4243 5.4243 5.4307 5.4307 5.6261 5.6261 5.8068 5.8068 11.3196 11.3196 11.6583 11.6583 13.6551 13.6551 14.5632 14.5632 14.6412 14.6412 14.6955 14.6955 k = 0.5000 0.2887 0.3396 ( 4064 PWs) bands (ev): -25.5809 -25.5809 -14.1671 -14.1671 -13.2830 -13.2830 -11.9185 -11.9185 -11.3010 -11.3010 -10.7063 -10.7063 -10.4606 -10.4606 -8.3041 -8.3041 -7.2867 -7.2867 -7.1279 -7.1279 -3.5228 -3.5228 -1.7340 -1.7340 -0.1439 -0.1439 0.7683 0.7683 1.2645 1.2645 1.4570 1.4570 1.6620 1.6620 3.2703 3.2703 3.3608 3.3608 4.0016 4.0016 4.1729 4.1729 4.9089 4.9089 4.9322 4.9322 5.1705 5.1705 5.4126 5.4126 5.4333 5.4333 5.6380 5.6380 5.8054 5.8054 11.3257 11.3257 11.6400 11.6400 13.6587 13.6587 14.5605 14.5605 14.6486 14.6486 14.7024 14.7024 k = 0.5000 0.2887 0.3242 ( 4062 PWs) bands (ev): -25.5809 -25.5809 -14.1687 -14.1687 -13.2818 -13.2818 -11.9215 -11.9215 -11.2954 -11.2954 -10.7123 -10.7123 -10.4521 -10.4521 -8.3054 -8.3054 -7.2863 -7.2863 -7.1331 -7.1331 -3.5281 -3.5281 -1.7293 -1.7293 -0.1376 -0.1376 0.7684 0.7684 1.2672 1.2672 1.4409 1.4409 1.6749 1.6749 3.2701 3.2701 3.3508 3.3508 3.9986 3.9986 4.1826 4.1826 4.9187 4.9187 4.9338 4.9338 5.1540 5.1540 5.3979 5.3979 5.4396 5.4396 5.6488 5.6488 5.8043 5.8043 11.3326 11.3326 11.6200 11.6200 13.6616 13.6616 14.5577 14.5577 14.6569 14.6569 14.7103 14.7103 k = 0.5000 0.2887 0.3087 ( 4084 PWs) bands (ev): -25.5810 -25.5810 -14.1704 -14.1704 -13.2805 -13.2805 -11.9248 -11.9248 -11.2892 -11.2892 -10.7186 -10.7186 -10.4429 -10.4429 -8.3069 -8.3069 -7.2860 -7.2860 -7.1386 -7.1386 -3.5339 -3.5339 -1.7242 -1.7242 -0.1307 -0.1307 0.7685 0.7685 1.2703 1.2703 1.4235 1.4235 1.6891 1.6891 3.2699 3.2699 3.3402 3.3402 3.9953 3.9953 4.1924 4.1924 4.9102 4.9102 4.9554 4.9554 5.1357 5.1357 5.3841 5.3841 5.4454 5.4454 5.6584 5.6584 5.8035 5.8035 11.3401 11.3401 11.5985 11.5985 13.6636 13.6636 14.5548 14.5548 14.6659 14.6659 14.7191 14.7191 k = 0.5000 0.2887 0.2933 ( 4084 PWs) bands (ev): -25.5810 -25.5810 -14.1723 -14.1723 -13.2791 -13.2791 -11.9283 -11.9283 -11.2825 -11.2825 -10.7253 -10.7253 -10.4331 -10.4331 -8.3087 -8.3087 -7.2857 -7.2857 -7.1443 -7.1443 -3.5402 -3.5402 -1.7187 -1.7187 -0.1233 -0.1233 0.7687 0.7687 1.2735 1.2735 1.4050 1.4050 1.7046 1.7046 3.2696 3.2696 3.3292 3.3292 3.9918 3.9918 4.2023 4.2023 4.9004 4.9004 4.9801 4.9801 5.1158 5.1158 5.3715 5.3715 5.4504 5.4504 5.6668 5.6668 5.8033 5.8033 11.3483 11.3483 11.5760 11.5760 13.6645 13.6645 14.5516 14.5516 14.6758 14.6758 14.7286 14.7286 k = 0.5000 0.2887 0.2779 ( 4082 PWs) bands (ev): -25.5810 -25.5810 -14.1742 -14.1742 -13.2776 -13.2776 -11.9320 -11.9320 -11.2754 -11.2754 -10.7322 -10.7322 -10.4229 -10.4229 -8.3108 -8.3108 -7.2857 -7.2857 -7.1499 -7.1499 -3.5468 -3.5468 -1.7128 -1.7128 -0.1154 -0.1154 0.7689 0.7689 1.2769 1.2769 1.3857 1.3857 1.7212 1.7212 3.2691 3.2691 3.3179 3.3179 3.9881 3.9881 4.2120 4.2120 4.8905 4.8905 5.0062 5.0062 5.0947 5.0947 5.3602 5.3602 5.4544 5.4544 5.6740 5.6740 5.8037 5.8037 11.3571 11.3571 11.5527 11.5527 13.6640 13.6640 14.5482 14.5482 14.6865 14.6865 14.7385 14.7385 k = 0.5000 0.2887 0.2624 ( 4076 PWs) bands (ev): -25.5810 -25.5810 -14.1763 -14.1763 -13.2761 -13.2761 -11.9359 -11.9359 -11.2680 -11.2680 -10.7392 -10.7392 -10.4124 -10.4124 -8.3132 -8.3132 -7.2859 -7.2859 -7.1554 -7.1554 -3.5538 -3.5538 -1.7068 -1.7068 -0.1072 -0.1072 0.7691 0.7691 1.2804 1.2804 1.3658 1.3658 1.7388 1.7388 3.2683 3.2683 3.3065 3.3065 3.9843 3.9843 4.2215 4.2215 4.8808 4.8808 5.0325 5.0325 5.0732 5.0732 5.3504 5.3504 5.4571 5.4571 5.6799 5.6799 5.8048 5.8048 11.3663 11.3663 11.5290 11.5290 13.6621 13.6621 14.5445 14.5445 14.6982 14.6982 14.7485 14.7485 k = 0.5000 0.2887 0.2470 ( 4074 PWs) bands (ev): -25.5810 -25.5810 -14.1784 -14.1784 -13.2744 -13.2744 -11.9398 -11.9398 -11.2603 -11.2603 -10.7463 -10.7463 -10.4017 -10.4017 -8.3158 -8.3158 -7.2865 -7.2865 -7.1605 -7.1605 -3.5610 -3.5610 -1.7005 -1.7005 -0.0987 -0.0987 0.7694 0.7694 1.2839 1.2839 1.3457 1.3457 1.7572 1.7572 3.2669 3.2669 3.2955 3.2955 3.9804 3.9804 4.2307 4.2307 4.8714 4.8714 5.0428 5.0428 5.0672 5.0672 5.3422 5.3422 5.4585 5.4585 5.6848 5.6848 5.8066 5.8066 11.3759 11.3759 11.5053 11.5053 13.6587 13.6587 14.5405 14.5405 14.7108 14.7108 14.7583 14.7583 k = 0.5000 0.2887 0.2315 ( 4054 PWs) bands (ev): -25.5810 -25.5810 -14.1805 -14.1805 -13.2728 -13.2728 -11.9437 -11.9437 -11.2525 -11.2525 -10.7534 -10.7534 -10.3910 -10.3910 -8.3187 -8.3187 -7.2876 -7.2876 -7.1650 -7.1650 -3.5684 -3.5684 -1.6942 -1.6942 -0.0901 -0.0901 0.7698 0.7698 1.2874 1.2874 1.3255 1.3255 1.7763 1.7763 3.2642 3.2642 3.2857 3.2857 3.9765 3.9765 4.2395 4.2395 4.8625 4.8625 5.0212 5.0212 5.0925 5.0925 5.3355 5.3355 5.4585 5.4585 5.6885 5.6885 5.8093 5.8093 11.3858 11.3858 11.4817 11.4817 13.6540 13.6540 14.5361 14.5361 14.7244 14.7244 14.7676 14.7676 k = 0.5000 0.2887 0.2161 ( 4050 PWs) bands (ev): -25.5811 -25.5811 -14.1826 -14.1826 -13.2711 -13.2711 -11.9476 -11.9476 -11.2445 -11.2445 -10.7603 -10.7603 -10.3802 -10.3802 -8.3219 -8.3219 -7.2893 -7.2893 -7.1688 -7.1688 -3.5759 -3.5759 -1.6878 -1.6878 -0.0814 -0.0814 0.7702 0.7702 1.2903 1.2903 1.3060 1.3060 1.7958 1.7958 3.2587 3.2587 3.2785 3.2785 3.9725 3.9725 4.2481 4.2481 4.8542 4.8542 4.9964 4.9964 5.1201 5.1201 5.3305 5.3305 5.4573 5.4573 5.6913 5.6913 5.8125 5.8125 11.3958 11.3958 11.4585 11.4585 13.6480 13.6480 14.5314 14.5314 14.7387 14.7387 14.7762 14.7762 k = 0.5000 0.2887 0.2007 ( 4062 PWs) bands (ev): -25.5811 -25.5811 -14.1847 -14.1847 -13.2695 -13.2695 -11.9515 -11.9515 -11.2367 -11.2367 -10.7672 -10.7672 -10.3696 -10.3696 -8.3252 -8.3252 -7.2916 -7.2916 -7.1718 -7.1718 -3.5833 -3.5833 -1.6816 -1.6816 -0.0728 -0.0728 0.7706 0.7706 1.2836 1.2836 1.2966 1.2966 1.8156 1.8156 3.2500 3.2500 3.2746 3.2746 3.9687 3.9687 4.2563 4.2563 4.8464 4.8464 4.9709 4.9709 5.1474 5.1474 5.3272 5.3272 5.4549 5.4549 5.6931 5.6931 5.8164 5.8164 11.4058 11.4058 11.4360 11.4360 13.6410 13.6410 14.5265 14.5265 14.7537 14.7537 14.7840 14.7840 k = 0.5000 0.2887 0.1852 ( 4066 PWs) bands (ev): -25.5811 -25.5811 -14.1868 -14.1868 -13.2678 -13.2678 -11.9553 -11.9553 -11.2289 -11.2289 -10.7738 -10.7738 -10.3593 -10.3593 -8.3287 -8.3287 -7.2945 -7.2945 -7.1739 -7.1739 -3.5906 -3.5906 -1.6754 -1.6754 -0.0642 -0.0642 0.7710 0.7710 1.2653 1.2653 1.2991 1.2991 1.8354 1.8354 3.2395 3.2395 3.2726 3.2726 3.9650 3.9650 4.2643 4.2643 4.8392 4.8392 4.9452 4.9452 5.1736 5.1736 5.3254 5.3254 5.4515 5.4515 5.6942 5.6942 5.8208 5.8208 11.4141 11.4141 11.4159 11.4159 13.6331 13.6331 14.5213 14.5213 14.7687 14.7687 14.7916 14.7916 k = 0.5000 0.2887 0.1698 ( 4066 PWs) bands (ev): -25.5811 -25.5811 -14.1888 -14.1888 -13.2663 -13.2663 -11.9589 -11.9589 -11.2213 -11.2213 -10.7802 -10.7802 -10.3493 -10.3493 -8.3323 -8.3323 -7.2980 -7.2980 -7.1752 -7.1752 -3.5977 -3.5977 -1.6694 -1.6694 -0.0560 -0.0560 0.7715 0.7715 1.2471 1.2471 1.3022 1.3022 1.8550 1.8550 3.2284 3.2284 3.2713 3.2713 3.9615 3.9615 4.2721 4.2721 4.8327 4.8327 4.9196 4.9196 5.1983 5.1983 5.3252 5.3252 5.4473 5.4473 5.6947 5.6947 5.8254 5.8254 11.3938 11.3938 11.4254 11.4254 13.6246 13.6246 14.5159 14.5159 14.7819 14.7819 14.8004 14.8004 k = 0.5000 0.2887 0.1544 ( 4070 PWs) bands (ev): -25.5812 -25.5812 -14.1907 -14.1907 -13.2647 -13.2647 -11.9624 -11.9624 -11.2140 -11.2140 -10.7862 -10.7862 -10.3397 -10.3397 -8.3359 -8.3359 -7.3020 -7.3020 -7.1757 -7.1757 -3.6046 -3.6046 -1.6637 -1.6637 -0.0480 -0.0480 0.7720 0.7720 1.2297 1.2297 1.3054 1.3054 1.8741 1.8741 3.2174 3.2174 3.2704 3.2704 3.9581 3.9581 4.2797 4.2797 4.8268 4.8268 4.8944 4.8944 5.2212 5.2212 5.3265 5.3265 5.4425 5.4425 5.6948 5.6948 5.8302 5.8302 11.3745 11.3745 11.4348 11.4348 13.6157 13.6157 14.5105 14.5105 14.7904 14.7904 14.8133 14.8133 k = 0.5000 0.2887 0.1389 ( 4072 PWs) bands (ev): -25.5812 -25.5812 -14.1925 -14.1925 -13.2633 -13.2633 -11.9656 -11.9656 -11.2071 -11.2071 -10.7918 -10.7918 -10.3307 -10.3307 -8.3395 -8.3395 -7.3062 -7.3062 -7.1755 -7.1755 -3.6111 -3.6111 -1.6584 -1.6584 -0.0406 -0.0406 0.7725 0.7725 1.2135 1.2135 1.3083 1.3083 1.8926 1.8926 3.2066 3.2066 3.2696 3.2696 3.9550 3.9550 4.2871 4.2871 4.8216 4.8216 4.8699 4.8699 5.2419 5.2419 5.3290 5.3290 5.4375 5.4375 5.6946 5.6946 5.8350 5.8350 11.3566 11.3566 11.4438 11.4438 13.6067 13.6067 14.5051 14.5051 14.7949 14.7949 14.8296 14.8296 k = 0.5000 0.2887 0.1235 ( 4072 PWs) bands (ev): -25.5812 -25.5812 -14.1941 -14.1941 -13.2619 -13.2619 -11.9686 -11.9686 -11.2007 -11.2007 -10.7970 -10.7970 -10.3224 -10.3224 -8.3429 -8.3429 -7.3106 -7.3106 -7.1748 -7.1748 -3.6172 -3.6172 -1.6534 -1.6534 -0.0336 -0.0336 0.7730 0.7730 1.1985 1.1985 1.3110 1.3110 1.9100 1.9100 3.1963 3.1963 3.2689 3.2689 3.9522 3.9522 4.2944 4.2944 4.8169 4.8169 4.8465 4.8465 5.2603 5.2603 5.3324 5.3324 5.4323 5.4323 5.6942 5.6942 5.8397 5.8397 11.3402 11.3402 11.4522 11.4522 13.5979 13.5979 14.4999 14.4999 14.7974 14.7974 14.8471 14.8471 k = 0.5000 0.2887 0.1081 ( 4070 PWs) bands (ev): -25.5812 -25.5812 -14.1957 -14.1957 -13.2607 -13.2607 -11.9713 -11.9713 -11.1948 -11.1948 -10.8017 -10.8017 -10.3148 -10.3148 -8.3462 -8.3462 -7.3149 -7.3149 -7.1738 -7.1738 -3.6227 -3.6227 -1.6489 -1.6489 -0.0272 -0.0272 0.7734 0.7734 1.1850 1.1850 1.3135 1.3135 1.9263 1.9263 3.1867 3.1867 3.2683 3.2683 3.9497 3.9497 4.3014 4.3014 4.8128 4.8128 4.8245 4.8245 5.2763 5.2763 5.3364 5.3364 5.4272 5.4272 5.6938 5.6938 5.8441 5.8441 11.3255 11.3255 11.4598 11.4598 13.5894 13.5894 14.4950 14.4950 14.7986 14.7986 14.8648 14.8648 k = 0.5000 0.2887 0.0926 ( 4070 PWs) bands (ev): -25.5812 -25.5812 -14.1970 -14.1970 -13.2596 -13.2596 -11.9738 -11.9738 -11.1895 -11.1895 -10.8059 -10.8059 -10.3080 -10.3080 -8.3492 -8.3492 -7.3189 -7.3189 -7.1726 -7.1726 -3.6277 -3.6277 -1.6449 -1.6449 -0.0216 -0.0216 0.7739 0.7739 1.1730 1.1730 1.3157 1.3157 1.9410 1.9410 3.1779 3.1779 3.2677 3.2677 3.9475 3.9475 4.3081 4.3081 4.8037 4.8037 4.8099 4.8099 5.2902 5.2902 5.3404 5.3404 5.4223 5.4223 5.6935 5.6935 5.8481 5.8481 11.3126 11.3126 11.4667 11.4667 13.5816 13.5816 14.4904 14.4904 14.7992 14.7992 14.8821 14.8821 k = 0.5000 0.2887 0.0772 ( 4056 PWs) bands (ev): -25.5812 -25.5812 -14.1982 -14.1982 -13.2587 -13.2587 -11.9758 -11.9758 -11.1850 -11.1850 -10.8094 -10.8094 -10.3022 -10.3022 -8.3518 -8.3518 -7.3226 -7.3226 -7.1714 -7.1714 -3.6320 -3.6320 -1.6414 -1.6414 -0.0166 -0.0166 0.7742 0.7742 1.1627 1.1627 1.3176 1.3176 1.9540 1.9540 3.1701 3.1701 3.2672 3.2672 3.9456 3.9456 4.3143 4.3143 4.7857 4.7857 4.8068 4.8068 5.3021 5.3021 5.3440 5.3440 5.4180 5.4180 5.6933 5.6933 5.8517 5.8517 11.3015 11.3015 11.4728 11.4728 13.5746 13.5746 14.4863 14.4863 14.7992 14.7992 14.8983 14.8983 k = 0.5000 0.2887 0.0617 ( 4064 PWs) bands (ev): -25.5812 -25.5812 -14.1991 -14.1991 -13.2579 -13.2579 -11.9776 -11.9776 -11.1812 -11.1812 -10.8124 -10.8124 -10.2973 -10.2973 -8.3541 -8.3541 -7.3257 -7.3257 -7.1702 -7.1702 -3.6356 -3.6356 -1.6385 -1.6385 -0.0125 -0.0125 0.7746 0.7746 1.1542 1.1542 1.3192 1.3192 1.9650 1.9650 3.1635 3.1635 3.2668 3.2668 3.9440 3.9440 4.3198 4.3198 4.7701 4.7701 4.8045 4.8045 5.3124 5.3124 5.3465 5.3465 5.4142 5.4142 5.6932 5.6932 5.8547 5.8547 11.2923 11.2923 11.4778 11.4778 13.5687 13.5687 14.4828 14.4828 14.7990 14.7990 14.9129 14.9129 k = 0.5000 0.2887 0.0463 ( 4064 PWs) bands (ev): -25.5812 -25.5812 -14.1999 -14.1999 -13.2572 -13.2572 -11.9789 -11.9789 -11.1781 -11.1781 -10.8148 -10.8148 -10.2934 -10.2934 -8.3559 -8.3559 -7.3283 -7.3283 -7.1692 -7.1692 -3.6384 -3.6384 -1.6362 -1.6362 -0.0093 -0.0093 0.7748 0.7748 1.1474 1.1474 1.3205 1.3205 1.9738 1.9738 3.1582 3.1582 3.2665 3.2665 3.9428 3.9428 4.3244 4.3244 4.7575 4.7575 4.8027 4.8027 5.3212 5.3212 5.3477 5.3477 5.4111 5.4111 5.6933 5.6933 5.8571 5.8571 11.2851 11.2851 11.4818 11.4818 13.5638 13.5638 14.4800 14.4800 14.7987 14.7987 14.9251 14.9251 k = 0.5000 0.2887 0.0309 ( 4072 PWs) bands (ev): -25.5813 -25.5813 -14.2005 -14.2005 -13.2568 -13.2568 -11.9799 -11.9799 -11.1759 -11.1759 -10.8165 -10.8165 -10.2906 -10.2906 -8.3573 -8.3573 -7.3302 -7.3302 -7.1684 -7.1684 -3.6405 -3.6405 -1.6345 -1.6345 -0.0069 -0.0069 0.7750 0.7750 1.1426 1.1426 1.3214 1.3214 1.9802 1.9802 3.1543 3.1543 3.2662 3.2662 3.9419 3.9419 4.3279 4.3279 4.7481 4.7481 4.8015 4.8015 5.3287 5.3287 5.3474 5.3474 5.4089 5.4089 5.6934 5.6934 5.8589 5.8589 11.2799 11.2799 11.4847 11.4847 13.5603 13.5603 14.4780 14.4780 14.7983 14.7983 14.9345 14.9345 k = 0.5000 0.2887 0.0154 ( 4078 PWs) bands (ev): -25.5813 -25.5813 -14.2008 -14.2008 -13.2565 -13.2565 -11.9805 -11.9805 -11.1746 -11.1746 -10.8175 -10.8175 -10.2890 -10.2890 -8.3581 -8.3581 -7.3314 -7.3314 -7.1679 -7.1679 -3.6417 -3.6417 -1.6335 -1.6335 -0.0055 -0.0055 0.7752 0.7752 1.1397 1.1397 1.3219 1.3219 1.9841 1.9841 3.1519 3.1519 3.2661 3.2661 3.9414 3.9414 4.3301 4.3301 4.7423 4.7423 4.8007 4.8007 5.3346 5.3346 5.3459 5.3459 5.4075 5.4075 5.6935 5.6935 5.8599 5.8599 11.2768 11.2768 11.4865 11.4865 13.5582 13.5582 14.4767 14.4767 14.7981 14.7981 14.9404 14.9404 k = 0.5000 0.2887-0.0000 ( 4080 PWs) bands (ev): -25.5813 -25.5813 -14.2009 -14.2009 -13.2564 -13.2564 -11.9807 -11.9807 -11.1742 -11.1742 -10.8178 -10.8178 -10.2884 -10.2884 -8.3584 -8.3584 -7.3318 -7.3318 -7.1677 -7.1677 -3.6422 -3.6422 -1.6332 -1.6332 -0.0050 -0.0050 0.7752 0.7752 1.1387 1.1387 1.3221 1.3221 1.9854 1.9854 3.1511 3.1511 3.2660 3.2660 3.9412 3.9412 4.3309 4.3309 4.7404 4.7404 4.8005 4.8005 5.3373 5.3373 5.3446 5.3446 5.4070 5.4070 5.6935 5.6935 5.8603 5.8603 11.2757 11.2757 11.4870 11.4870 13.5574 13.5574 14.4763 14.4763 14.7980 14.7980 14.9424 14.9424 k = 0.3333 0.5774-0.0000 ( 4116 PWs) bands (ev): -25.5809 -25.5809 -13.7571 -13.7571 -13.7512 -13.7512 -12.0266 -12.0266 -10.9654 -10.9654 -10.9636 -10.9636 -10.3449 -10.3449 -8.3612 -8.3612 -7.3462 -7.3462 -7.1707 -7.1707 -2.6357 -2.6357 -2.6289 -2.6289 0.3036 0.3036 0.3291 0.3291 1.4480 1.4480 2.0560 2.0560 2.1177 2.1177 2.1283 2.1283 2.7856 2.7856 4.5393 4.5393 4.7603 4.7603 4.7997 4.7997 4.8008 4.8008 5.1000 5.1000 5.1027 5.1027 5.6064 5.6064 5.6144 5.6144 5.7077 5.7077 11.3733 11.3733 11.3761 11.3761 13.7392 13.7392 13.7961 13.7961 14.5251 14.5251 15.4208 15.4208 k = 0.3333 0.5774 0.0154 ( 4110 PWs) bands (ev): -25.5809 -25.5809 -13.7564 -13.7564 -13.7504 -13.7504 -12.0216 -12.0216 -10.9699 -10.9699 -10.9671 -10.9671 -10.3578 -10.3578 -8.3520 -8.3520 -7.3388 -7.3388 -7.1602 -7.1602 -2.6414 -2.6414 -2.6339 -2.6339 0.2947 0.2947 0.3206 0.3206 1.4273 1.4273 2.0555 2.0555 2.1166 2.1166 2.1277 2.1277 2.7850 2.7850 4.5396 4.5396 4.7909 4.7909 4.7927 4.7927 4.7939 4.7939 5.1221 5.1221 5.1255 5.1255 5.6146 5.6146 5.6225 5.6225 5.6979 5.6979 11.3829 11.3829 11.3857 11.3857 13.7049 13.7049 13.7636 13.7636 14.5305 14.5305 15.3705 15.3705 k = 0.3333 0.5774 0.0309 ( 4110 PWs) bands (ev): -25.5809 -25.5809 -13.7555 -13.7555 -13.7493 -13.7493 -12.0168 -12.0168 -10.9752 -10.9752 -10.9711 -10.9711 -10.3703 -10.3703 -8.3425 -8.3425 -7.3307 -7.3307 -7.1497 -7.1497 -2.6473 -2.6473 -2.6390 -2.6390 0.2859 0.2859 0.3122 0.3122 1.4060 1.4060 2.0550 2.0550 2.1150 2.1150 2.1268 2.1268 2.7859 2.7859 4.5398 4.5398 4.7843 4.7843 4.7863 4.7863 4.8212 4.8212 5.1453 5.1453 5.1496 5.1496 5.6229 5.6229 5.6305 5.6305 5.6886 5.6886 11.3932 11.3932 11.3959 11.3959 13.6716 13.6716 13.7322 13.7322 14.5370 14.5370 15.3176 15.3176 k = 0.3333 0.5774 0.0463 ( 4104 PWs) bands (ev): -25.5809 -25.5809 -13.7544 -13.7544 -13.7481 -13.7481 -12.0122 -12.0122 -10.9810 -10.9810 -10.9757 -10.9757 -10.3821 -10.3821 -8.3326 -8.3326 -7.3222 -7.3222 -7.1393 -7.1393 -2.6531 -2.6531 -2.6440 -2.6440 0.2773 0.2773 0.3039 0.3039 1.3845 1.3845 2.0545 2.0545 2.1129 2.1129 2.1257 2.1257 2.7880 2.7880 4.5399 4.5399 4.7759 4.7759 4.7784 4.7784 4.8501 4.8501 5.1690 5.1690 5.1744 5.1744 5.6310 5.6310 5.6382 5.6382 5.6801 5.6801 11.4042 11.4042 11.4068 11.4068 13.6400 13.6400 13.7024 13.7024 14.5446 14.5446 15.2628 15.2628 k = 0.3333 0.5774 0.0617 ( 4101 PWs) bands (ev): -25.5809 -25.5809 -13.7532 -13.7532 -13.7467 -13.7467 -12.0080 -12.0080 -10.9875 -10.9875 -10.9808 -10.9808 -10.3932 -10.3932 -8.3225 -8.3225 -7.3132 -7.3132 -7.1290 -7.1290 -2.6589 -2.6589 -2.6490 -2.6490 0.2690 0.2690 0.2960 0.2960 1.3629 1.3629 2.0540 2.0540 2.1103 2.1103 2.1243 2.1243 2.7912 2.7912 4.5398 4.5398 4.7674 4.7674 4.7704 4.7704 4.8777 4.8777 5.1928 5.1928 5.1993 5.1993 5.6390 5.6390 5.6452 5.6452 5.6727 5.6727 11.4158 11.4158 11.4182 11.4182 13.6105 13.6105 13.6745 13.6745 14.5533 14.5533 15.2067 15.2067 k = 0.3333 0.5774 0.0772 ( 4101 PWs) bands (ev): -25.5809 -25.5809 -13.7518 -13.7518 -13.7452 -13.7452 -12.0042 -12.0042 -10.9944 -10.9944 -10.9864 -10.9864 -10.4035 -10.4035 -8.3124 -8.3124 -7.3039 -7.3039 -7.1191 -7.1191 -2.6645 -2.6645 -2.6539 -2.6539 0.2611 0.2611 0.2885 0.2885 1.3417 1.3417 2.0535 2.0535 2.1072 2.1072 2.1227 2.1227 2.7954 2.7954 4.5395 4.5395 4.7592 4.7592 4.7628 4.7628 4.9036 4.9036 5.2163 5.2163 5.2239 5.2239 5.6466 5.6466 5.6502 5.6502 5.6677 5.6677 11.4276 11.4276 11.4300 11.4300 13.5834 13.5834 13.6491 13.6491 14.5628 14.5628 15.1499 15.1499 k = 0.3333 0.5774 0.0926 ( 4113 PWs) bands (ev): -25.5809 -25.5809 -13.7502 -13.7502 -13.7435 -13.7435 -12.0008 -12.0008 -11.0017 -11.0017 -10.9922 -10.9922 -10.4127 -10.4127 -8.3023 -8.3023 -7.2944 -7.2944 -7.1097 -7.1097 -2.6699 -2.6699 -2.6587 -2.6587 0.2537 0.2537 0.2815 0.2815 1.3210 1.3210 2.0530 2.0530 2.1037 2.1037 2.1208 2.1208 2.8004 2.8004 4.5392 4.5392 4.7514 4.7514 4.7556 4.7556 4.9277 4.9277 5.2389 5.2389 5.2477 5.2477 5.6504 5.6504 5.6539 5.6539 5.6679 5.6679 11.4397 11.4397 11.4419 11.4419 13.5593 13.5593 13.6264 13.6264 14.5732 14.5732 15.0928 15.0928 k = 0.3333 0.5774 0.1081 ( 4107 PWs) bands (ev): -25.5809 -25.5809 -13.7486 -13.7486 -13.7416 -13.7416 -11.9979 -11.9979 -11.0093 -11.0093 -10.9984 -10.9984 -10.4209 -10.4209 -8.2924 -8.2924 -7.2848 -7.2848 -7.1008 -7.1008 -2.6751 -2.6751 -2.6632 -2.6632 0.2469 0.2469 0.2751 0.2751 1.3012 1.3012 2.0524 2.0524 2.0997 2.0997 2.1188 2.1188 2.8059 2.8059 4.5387 4.5387 4.7442 4.7442 4.7491 4.7491 4.9498 4.9498 5.2604 5.2604 5.2705 5.2705 5.6468 5.6468 5.6608 5.6608 5.6724 5.6724 11.4519 11.4519 11.4540 11.4540 13.5384 13.5384 13.6071 13.6071 14.5844 14.5844 15.0358 15.0358 k = 0.3333 0.5774 0.1235 ( 4101 PWs) bands (ev): -25.5809 -25.5809 -13.7468 -13.7468 -13.7397 -13.7397 -11.9956 -11.9956 -11.0171 -11.0171 -11.0047 -11.0047 -10.4279 -10.4279 -8.2828 -8.2828 -7.2752 -7.2752 -7.0925 -7.0925 -2.6799 -2.6799 -2.6674 -2.6674 0.2408 0.2408 0.2693 0.2693 1.2825 1.2825 2.0518 2.0518 2.0954 2.0954 2.1165 2.1165 2.8119 2.8119 4.5380 4.5380 4.7378 4.7378 4.7433 4.7433 4.9699 4.9699 5.2804 5.2804 5.2917 5.2917 5.6425 5.6425 5.6673 5.6673 5.6780 5.6780 11.4640 11.4640 11.4660 11.4660 13.5213 13.5213 13.5912 13.5912 14.5963 14.5963 14.9791 14.9791 k = 0.3333 0.5774 0.1389 ( 4119 PWs) bands (ev): -25.5809 -25.5809 -13.7449 -13.7449 -13.7376 -13.7376 -11.9939 -11.9939 -11.0251 -11.0251 -11.0112 -11.0112 -10.4336 -10.4336 -8.2735 -8.2735 -7.2658 -7.2658 -7.0850 -7.0850 -2.6844 -2.6844 -2.6713 -2.6713 0.2353 0.2353 0.2642 0.2642 1.2650 1.2650 2.0510 2.0510 2.0906 2.0906 2.1142 2.1142 2.8183 2.8183 4.5372 4.5372 4.7323 4.7323 4.7384 4.7384 4.9878 4.9878 5.2986 5.2986 5.3112 5.3112 5.6386 5.6386 5.6733 5.6733 5.6835 5.6835 11.4758 11.4758 11.4777 11.4777 13.5080 13.5080 13.5792 13.5792 14.6088 14.6088 14.9231 14.9231 k = 0.3333 0.5774 0.1544 ( 4104 PWs) bands (ev): -25.5808 -25.5808 -13.7430 -13.7430 -13.7355 -13.7355 -11.9927 -11.9927 -11.0331 -11.0331 -11.0178 -11.0178 -10.4380 -10.4380 -8.2648 -8.2648 -7.2567 -7.2567 -7.0782 -7.0782 -2.6884 -2.6884 -2.6748 -2.6748 0.2307 0.2307 0.2599 0.2599 1.2491 1.2491 2.0502 2.0502 2.0856 2.0856 2.1117 2.1117 2.8248 2.8248 4.5363 4.5363 4.7276 4.7276 4.7345 4.7345 5.0035 5.0035 5.3148 5.3148 5.3285 5.3285 5.6353 5.6353 5.6789 5.6789 5.6888 5.6888 11.4874 11.4874 11.4892 11.4892 13.4990 13.4990 13.5714 13.5714 14.6218 14.6218 14.8681 14.8681 k = 0.3333 0.5774 0.1698 ( 4104 PWs) bands (ev): -25.5808 -25.5808 -13.7410 -13.7410 -13.7334 -13.7334 -11.9922 -11.9922 -11.0410 -11.0410 -11.0244 -11.0244 -10.4410 -10.4410 -8.2566 -8.2566 -7.2479 -7.2479 -7.0724 -7.0724 -2.6920 -2.6920 -2.6779 -2.6779 0.2270 0.2270 0.2564 0.2564 1.2347 1.2347 2.0492 2.0492 2.0802 2.0802 2.1092 2.1092 2.8313 2.8313 4.5353 4.5353 4.7240 4.7240 4.7316 4.7316 5.0171 5.0171 5.3286 5.3286 5.3433 5.3433 5.6326 5.6326 5.6840 5.6840 5.6937 5.6937 11.4984 11.4984 11.5001 11.5001 13.4945 13.4945 13.5679 13.5679 14.6352 14.6352 14.8142 14.8142 k = 0.3333 0.5774 0.1852 ( 4086 PWs) bands (ev): -25.5808 -25.5808 -13.7390 -13.7390 -13.7312 -13.7312 -11.9924 -11.9924 -11.0488 -11.0488 -11.0308 -11.0308 -10.4426 -10.4426 -8.2491 -8.2491 -7.2395 -7.2395 -7.0675 -7.0675 -2.6950 -2.6950 -2.6805 -2.6805 0.2241 0.2241 0.2538 0.2538 1.2222 1.2222 2.0480 2.0480 2.0746 2.0746 2.1068 2.1068 2.8377 2.8377 4.5342 4.5342 4.7214 4.7214 4.7297 4.7297 5.0285 5.0285 5.3398 5.3398 5.3555 5.3555 5.6304 5.6304 5.6888 5.6888 5.6982 5.6982 11.5089 11.5089 11.5105 11.5105 13.4947 13.4947 13.5690 13.5690 14.6489 14.6489 14.7618 14.7618 k = 0.3333 0.5774 0.2007 ( 4089 PWs) bands (ev): -25.5808 -25.5808 -13.7371 -13.7371 -13.7291 -13.7291 -11.9931 -11.9931 -11.0563 -11.0563 -11.0371 -11.0371 -10.4428 -10.4428 -8.2424 -8.2424 -7.2318 -7.2318 -7.0637 -7.0637 -2.6974 -2.6974 -2.6827 -2.6827 0.2221 0.2221 0.2520 0.2520 1.2116 1.2116 2.0466 2.0466 2.0688 2.0688 2.1044 2.1044 2.8440 2.8440 4.5331 4.5331 4.7198 4.7198 4.7289 4.7289 5.0378 5.0378 5.3481 5.3481 5.3648 5.3648 5.6287 5.6287 5.6933 5.6933 5.7024 5.7024 11.5186 11.5186 11.5201 11.5201 13.4996 13.4996 13.5747 13.5747 14.6628 14.6628 14.7110 14.7110 k = 0.3333 0.5774 0.2161 ( 4077 PWs) bands (ev): -25.5808 -25.5808 -13.7351 -13.7351 -13.7269 -13.7269 -11.9945 -11.9945 -11.0635 -11.0635 -11.0432 -11.0432 -10.4416 -10.4416 -8.2365 -8.2365 -7.2247 -7.2247 -7.0609 -7.0609 -2.6992 -2.6992 -2.6843 -2.6843 0.2210 0.2210 0.2511 0.2511 1.2030 1.2030 2.0450 2.0450 2.0629 2.0629 2.1022 2.1022 2.8501 2.8501 4.5318 4.5318 4.7192 4.7192 4.7290 4.7290 5.0449 5.0449 5.3536 5.3536 5.3709 5.3709 5.6274 5.6274 5.6975 5.6975 5.7063 5.7063 11.5274 11.5274 11.5290 11.5290 13.5094 13.5094 13.5852 13.5852 14.6620 14.6620 14.6757 14.6757 k = 0.3333 0.5774 0.2315 ( 4071 PWs) bands (ev): -25.5807 -25.5807 -13.7332 -13.7332 -13.7249 -13.7249 -11.9965 -11.9965 -11.0703 -11.0703 -11.0490 -11.0490 -10.4390 -10.4390 -8.2316 -8.2316 -7.2183 -7.2183 -7.0592 -7.0592 -2.7004 -2.7004 -2.6853 -2.6853 0.2209 0.2209 0.2512 0.2512 1.1964 1.1964 2.0432 2.0432 2.0569 2.0569 2.1001 2.1001 2.8558 2.8558 4.5305 4.5305 4.7197 4.7197 4.7302 4.7302 5.0499 5.0499 5.3559 5.3559 5.3738 5.3738 5.6265 5.6265 5.7014 5.7014 5.7099 5.7099 11.5354 11.5354 11.5369 11.5369 13.5240 13.5240 13.6005 13.6005 14.6150 14.6150 14.6420 14.6420 k = 0.3333 0.5774 0.2470 ( 4065 PWs) bands (ev): -25.5807 -25.5807 -13.7314 -13.7314 -13.7229 -13.7229 -11.9991 -11.9991 -11.0766 -11.0766 -11.0543 -11.0543 -10.4350 -10.4350 -8.2276 -8.2276 -7.2128 -7.2128 -7.0586 -7.0586 -2.7009 -2.7009 -2.6859 -2.6859 0.2218 0.2218 0.2521 0.2521 1.1920 1.1920 2.0412 2.0412 2.0510 2.0510 2.0983 2.0983 2.8612 2.8612 4.5292 4.5292 4.7211 4.7211 4.7324 4.7324 5.0528 5.0528 5.3550 5.3550 5.3733 5.3733 5.6260 5.6260 5.7051 5.7051 5.7132 5.7132 11.5424 11.5424 11.5438 11.5438 13.5436 13.5436 13.6206 13.6206 14.5702 14.5702 14.5971 14.5971 k = 0.3333 0.5774 0.2624 ( 4065 PWs) bands (ev): -25.5807 -25.5807 -13.7297 -13.7297 -13.7211 -13.7211 -12.0023 -12.0023 -11.0824 -11.0824 -11.0593 -11.0593 -10.4297 -10.4297 -8.2247 -8.2247 -7.2081 -7.2081 -7.0591 -7.0591 -2.7008 -2.7008 -2.6858 -2.6858 0.2235 0.2235 0.2539 0.2539 1.1897 1.1897 2.0390 2.0390 2.0451 2.0451 2.0968 2.0968 2.8662 2.8662 4.5279 4.5279 4.7235 4.7235 4.7355 4.7355 5.0533 5.0533 5.3509 5.3509 5.3695 5.3695 5.6259 5.6259 5.7085 5.7085 5.7163 5.7163 11.5483 11.5483 11.5496 11.5496 13.5681 13.5681 13.6454 13.6454 14.5277 14.5277 14.5545 14.5545 k = 0.3333 0.5774 0.2779 ( 4065 PWs) bands (ev): -25.5807 -25.5807 -13.7281 -13.7281 -13.7193 -13.7193 -12.0059 -12.0059 -11.0875 -11.0875 -11.0638 -11.0638 -10.4232 -10.4232 -8.2228 -8.2228 -7.2044 -7.2044 -7.0606 -7.0606 -2.7000 -2.7000 -2.6852 -2.6852 0.2262 0.2262 0.2566 0.2566 1.1895 1.1895 2.0367 2.0367 2.0394 2.0394 2.0955 2.0955 2.8709 2.8709 4.5266 4.5266 4.7269 4.7269 4.7395 4.7395 5.0515 5.0515 5.3438 5.3438 5.3624 5.3624 5.6263 5.6263 5.7115 5.7115 5.7190 5.7190 11.5531 11.5531 11.5543 11.5543 13.5973 13.5973 13.6748 13.6748 14.4876 14.4876 14.5144 14.5144 k = 0.3333 0.5774 0.2933 ( 4065 PWs) bands (ev): -25.5807 -25.5807 -13.7266 -13.7266 -13.7178 -13.7178 -12.0099 -12.0099 -11.0920 -11.0920 -11.0677 -11.0677 -10.4156 -10.4156 -8.2220 -8.2220 -7.2017 -7.2017 -7.0633 -7.0633 -2.6985 -2.6985 -2.6840 -2.6840 0.2297 0.2297 0.2601 0.2601 1.1914 1.1914 2.0339 2.0339 2.0343 2.0343 2.0944 2.0944 2.8752 2.8752 4.5252 4.5252 4.7310 4.7310 4.7444 4.7444 5.0473 5.0473 5.3336 5.3336 5.3522 5.3522 5.6273 5.6273 5.7142 5.7142 5.7213 5.7213 11.5567 11.5567 11.5579 11.5579 13.6311 13.6311 13.7088 13.7088 14.4501 14.4501 14.4769 14.4769 k = 0.3333 0.5774 0.3087 ( 4065 PWs) bands (ev): -25.5806 -25.5806 -13.7253 -13.7253 -13.7164 -13.7164 -12.0144 -12.0144 -11.0958 -11.0958 -11.0711 -11.0711 -10.4068 -10.4068 -8.2223 -8.2223 -7.2000 -7.2000 -7.0670 -7.0670 -2.6964 -2.6964 -2.6822 -2.6822 0.2341 0.2341 0.2644 0.2644 1.1954 1.1954 2.0288 2.0288 2.0319 2.0319 2.0936 2.0936 2.8791 2.8791 4.5239 4.5239 4.7360 4.7360 4.7500 4.7500 5.0404 5.0404 5.3206 5.3206 5.3390 5.3390 5.6290 5.6290 5.7164 5.7164 5.7232 5.7232 11.5591 11.5591 11.5602 11.5602 13.6694 13.6694 13.7472 13.7472 14.4153 14.4153 14.4421 14.4421 k = 0.3333 0.5774 0.3242 ( 4074 PWs) bands (ev): -25.5806 -25.5806 -13.7242 -13.7242 -13.7152 -13.7152 -12.0191 -12.0191 -11.0988 -11.0988 -11.0738 -11.0738 -10.3971 -10.3971 -8.2237 -8.2237 -7.1993 -7.1993 -7.0718 -7.0718 -2.6937 -2.6937 -2.6799 -2.6799 0.2393 0.2393 0.2694 0.2694 1.2014 1.2014 2.0241 2.0241 2.0296 2.0296 2.0930 2.0930 2.8828 2.8828 4.5226 4.5226 4.7417 4.7417 4.7563 4.7563 5.0308 5.0308 5.3051 5.3051 5.3231 5.3231 5.6315 5.6315 5.7180 5.7180 5.7245 5.7245 11.5602 11.5602 11.5613 11.5613 13.7120 13.7120 13.7897 13.7897 14.3833 14.3833 14.4103 14.4103 k = 0.3333 0.5774 0.3396 ( 4077 PWs) bands (ev): -25.5806 -25.5806 -13.7232 -13.7232 -13.7142 -13.7142 -12.0241 -12.0241 -11.1010 -11.1010 -11.0759 -11.0759 -10.3866 -10.3866 -8.2261 -8.2261 -7.1996 -7.1996 -7.0775 -7.0775 -2.6904 -2.6904 -2.6772 -2.6772 0.2451 0.2451 0.2752 0.2752 1.2094 1.2094 2.0198 2.0198 2.0274 2.0274 2.0925 2.0925 2.8862 2.8862 4.5214 4.5214 4.7480 4.7480 4.7633 4.7633 5.0184 5.0184 5.2872 5.2872 5.3048 5.3048 5.6351 5.6351 5.7189 5.7189 5.7252 5.7252 11.5601 11.5601 11.5611 11.5611 13.7587 13.7587 13.8362 13.8362 14.3541 14.3541 14.3814 14.3814 k = 0.3333 0.5774 0.3550 ( 4074 PWs) bands (ev): -25.5806 -25.5806 -13.7225 -13.7225 -13.7134 -13.7134 -12.0293 -12.0293 -11.1024 -11.1024 -11.0774 -11.0774 -10.3753 -10.3753 -8.2297 -8.2297 -7.2009 -7.2009 -7.0841 -7.0841 -2.6866 -2.6866 -2.6739 -2.6739 0.2517 0.2517 0.2815 0.2815 1.2191 1.2191 2.0161 2.0161 2.0255 2.0255 2.0922 2.0922 2.8894 2.8894 4.5203 4.5203 4.7548 4.7548 4.7707 4.7707 5.0031 5.0031 5.2673 5.2673 5.2843 5.2843 5.6396 5.6396 5.7191 5.7191 5.7252 5.7252 11.5587 11.5587 11.5596 11.5596 13.8091 13.8091 13.8862 13.8862 14.3279 14.3279 14.3556 14.3556 k = 0.3333 0.5774 0.3705 ( 4068 PWs) bands (ev): -25.5806 -25.5806 -13.7219 -13.7219 -13.7129 -13.7129 -12.0346 -12.0346 -11.1030 -11.1030 -11.0781 -11.0781 -10.3633 -10.3633 -8.2342 -8.2342 -7.2033 -7.2033 -7.0915 -7.0915 -2.6822 -2.6822 -2.6702 -2.6702 0.2588 0.2588 0.2884 0.2884 1.2306 1.2306 2.0129 2.0129 2.0239 2.0239 2.0921 2.0921 2.8925 2.8925 4.5192 4.5192 4.7620 4.7620 4.7785 4.7785 4.9850 4.9850 5.2457 5.2457 5.2621 5.2621 5.6452 5.6452 5.7183 5.7183 5.7245 5.7245 11.5561 11.5561 11.5568 11.5568 13.8630 13.8630 13.9394 13.9394 14.3048 14.3048 14.3332 14.3332 k = 0.3333 0.5774 0.3859 ( 4068 PWs) bands (ev): -25.5806 -25.5806 -13.7216 -13.7216 -13.7125 -13.7125 -12.0400 -12.0400 -11.1027 -11.1027 -11.0781 -11.0781 -10.3509 -10.3509 -8.2397 -8.2397 -7.2066 -7.2066 -7.0997 -7.0997 -2.6774 -2.6774 -2.6662 -2.6662 0.2665 0.2665 0.2957 0.2957 1.2436 1.2436 2.0105 2.0105 2.0227 2.0227 2.0920 2.0920 2.8955 2.8955 4.5183 4.5183 4.7694 4.7694 4.7865 4.7865 4.9640 4.9640 5.2228 5.2228 5.2385 5.2385 5.6519 5.6519 5.7167 5.7167 5.7230 5.7230 11.5521 11.5521 11.5528 11.5528 13.9200 13.9200 13.9951 13.9951 14.2849 14.2849 14.3145 14.3145 k = 0.3333 0.5774 0.4013 ( 4074 PWs) bands (ev): -25.5806 -25.5806 -13.7215 -13.7215 -13.7125 -13.7125 -12.0453 -12.0453 -11.1016 -11.1016 -11.0774 -11.0774 -10.3382 -10.3382 -8.2461 -8.2461 -7.2109 -7.2109 -7.1085 -7.1085 -2.6723 -2.6723 -2.6618 -2.6618 0.2745 0.2745 0.3035 0.3035 1.2581 1.2581 2.0087 2.0087 2.0219 2.0219 2.0920 2.0920 2.8984 2.8984 4.5174 4.5174 4.7769 4.7769 4.7946 4.7946 4.9404 4.9404 5.1990 5.1990 5.2138 5.2138 5.6595 5.6595 5.7142 5.7142 5.7206 5.7206 11.5470 11.5470 11.5475 11.5475 13.9792 13.9792 14.0520 14.0520 14.2686 14.2686 14.3005 14.3005 k = 0.3333 0.5774 0.4168 ( 4065 PWs) bands (ev): -25.5806 -25.5806 -13.7216 -13.7216 -13.7126 -13.7126 -12.0506 -12.0506 -11.0997 -11.0997 -11.0761 -11.0761 -10.3252 -10.3252 -8.2534 -8.2534 -7.2160 -7.2160 -7.1179 -7.1179 -2.6668 -2.6668 -2.6571 -2.6571 0.2829 0.2829 0.3115 0.3115 1.2738 1.2738 2.0077 2.0077 2.0216 2.0216 2.0921 2.0921 2.9014 2.9014 4.5167 4.5167 4.7842 4.7842 4.8026 4.8026 4.9142 4.9142 5.1748 5.1748 5.1886 5.1886 5.6679 5.6679 5.7106 5.7106 5.7175 5.7175 11.5407 11.5407 11.5411 11.5411 14.0393 14.0393 14.1076 14.1076 14.2571 14.2571 14.2935 14.2935 k = 0.3333 0.5774 0.4322 ( 4056 PWs) bands (ev): -25.5805 -25.5805 -13.7219 -13.7219 -13.7130 -13.7130 -12.0557 -12.0557 -11.0970 -11.0970 -11.0740 -11.0740 -10.3121 -10.3121 -8.2613 -8.2613 -7.2220 -7.2220 -7.1277 -7.1277 -2.6611 -2.6611 -2.6522 -2.6522 0.2915 0.2915 0.3197 0.3197 1.2907 1.2907 2.0074 2.0074 2.0217 2.0217 2.0922 2.0922 2.9044 2.9044 4.5161 4.5161 4.7910 4.7910 4.8102 4.8102 4.8860 4.8860 5.1506 5.1506 5.1633 5.1633 5.6767 5.6767 5.7061 5.7061 5.7139 5.7139 11.5332 11.5332 11.5335 11.5335 14.0971 14.0971 14.1553 14.1553 14.2531 14.2531 14.2994 14.2994 k = 0.3333 0.5774 0.4477 ( 4062 PWs) bands (ev): -25.5805 -25.5805 -13.7224 -13.7224 -13.7137 -13.7137 -12.0607 -12.0607 -11.0935 -11.0935 -11.0713 -11.0713 -10.2992 -10.2992 -8.2700 -8.2700 -7.2287 -7.2287 -7.1378 -7.1378 -2.6552 -2.6552 -2.6472 -2.6472 0.3003 0.3003 0.3281 0.3281 1.3084 1.3084 2.0079 2.0079 2.0224 2.0224 2.0924 2.0924 2.9075 2.9075 4.5156 4.5156 4.7970 4.7970 4.8171 4.8171 4.8559 4.8559 5.1270 5.1270 5.1385 5.1385 5.6852 5.6852 5.7006 5.7006 5.7103 5.7103 11.5247 11.5247 11.5249 11.5249 14.1434 14.1434 14.1849 14.1849 14.2654 14.2654 14.3284 14.3284 Writing output data file SrxAsO3x2.save init_run : 0.26s CPU 0.37s WALL ( 1 calls) electrons : 314.92s CPU 318.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 314.91s CPU 318.98s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 304 calls) cegterg : 300.00s CPU 303.51s WALL ( 702 calls) Called by sum_band: Called by *egterg: h_psi : 150.12s CPU 152.43s WALL ( 12570 calls) s_psi : 6.77s CPU 6.57s WALL ( 12570 calls) g_psi : 0.38s CPU 0.37s WALL ( 11564 calls) cdiaghg : 123.49s CPU 124.60s WALL ( 11868 calls) cegterg:over : 11.73s CPU 12.00s WALL ( 11564 calls) cegterg:upda : 10.34s CPU 10.74s WALL ( 11564 calls) cegterg:last : 4.84s CPU 5.02s WALL ( 1614 calls) cdiaghg:chol : 7.21s CPU 7.11s WALL ( 11868 calls) cdiaghg:inve : 5.14s CPU 5.11s WALL ( 11868 calls) cdiaghg:para : 8.49s CPU 8.52s WALL ( 23736 calls) Called by h_psi: h_psi:vloc : 131.66s CPU 133.78s WALL ( 12570 calls) h_psi:vnl : 17.99s CPU 18.21s WALL ( 12570 calls) add_vuspsi : 7.70s CPU 8.06s WALL ( 12570 calls) General routines calbec : 10.24s CPU 10.12s WALL ( 12570 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.85s CPU 125.52s WALL ( 1320340 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.20s WALL ( 608 calls) Parallel routines fft_scatter : 37.69s CPU 38.21s WALL ( 1320363 calls) PWSCF : 5m32.89s CPU 5m47.00s WALL This run was terminated on: 20:36:28 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=